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CAS 1186663-17-1 3-Methoxy-4-pyrrolidinoaniline Dihydrochloride molecular structure lightbox
CAS RN: 1186663-17-1

3-Methoxy-4-pyrrolidinoaniline Dihydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250424 250mg / 1g Confirm by inquiry Shandong Inquiry
  • Product code: SSC-018564
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.1g, 0.25g, 1g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1186663-17-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Shanghai Inquiry
10g >97% 2 In Stock Hong Kong Inquiry
25g >97% 2 In Stock Shanghai Inquiry

1186663-17-1 / 3-methoxy-4-pyrrolidin-1-ylaniline;dihydrochloride

3-METHOXY-4-PYRROLIDINOANILINE DIHYDROCHLORIDE | 3-Methoxy-4-(pyrrolidin-1-yl)aniline dihydrochloride | 3-methoxy-4-pyrrolidin-1-ylaniline;dihydrochloride

Standard CAS: 1186663-17-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1186663-17-1
Multi CAS
Yes
Molecular Formula
C11H18Cl2N2O
Molecular Weight
265.180000
Exact Mass
264.079619
SMILES
COC1=C(C=CC(=C1)N)N2CCCC2.Cl.Cl
InChI
InChI=1S/C11H16N2O.2ClH/c1-14-11-8-9(12)4-5-10(11)13-6-2-3-7-13;;/h4-5,8H,2-3,6-7,12H2,1H3;2*1H
InChIKey
LUGKAYMYFUQVHM-UHFFFAOYSA-N
Synonyms
3-METHOXY-4-PYRROLIDINOANILINE DIHYDROCHLORIDE 3-Methoxy-4-(pyrrolidin-1-yl)aniline dihydrochloride 3-methoxy-4-pyrrolidin-1-ylaniline;dihydrochloride MFCD11052570 3-Methoxy-4-pyrrolidinoanilineDihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.35
TPSA
38.49

LogP / Solubility

WLOGP
2.72
MLOGP
2.4
XLogP3
2.72
Consensus LogP
2.61
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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