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CAS 100840-60-6 3-(4-METHOXYPHENOXY)PROPAN-1-AMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 100840-60-6

3-(4-METHOXYPHENOXY)PROPAN-1-AMINE HYDROCHLORIDE

  • Product code: SSC-001570
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 100840-60-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 3 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Beijing Inquiry

100840-60-6 / 3-(4-methoxyphenoxy)propan-1-amine;hydrochloride

3-(4-METHOXYPHENOXY)PROPAN-1-AMINE HYDROCHLORIDE | MFCD11036178 | 3-(4-Methoxyphenoxy)propan-1-amine, HCl

Standard CAS: 100840-60-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
100840-60-6
Multi CAS
No
Molecular Formula
C10H16ClNO2
Molecular Weight
217.690000
Exact Mass
217.086956
SMILES
COC1=CC=C(C=C1)OCCCN.Cl
InChI
InChI=1S/C10H15NO2.ClH/c1-12-9-3-5-10(6-4-9)13-8-2-7-11;/h3-6H,2,7-8,11H2,1H3;1H
InChIKey
FCKREKWZHYJHFR-UHFFFAOYSA-N
Synonyms
3-(4-METHOXYPHENOXY)PROPAN-1-AMINE HYDROCHLORIDE MFCD11036178 3-(4-Methoxyphenoxy)propan-1-amine, HCl 3-(4-methoxyphenoxy)propan-1-amine;hydrochloride SCHEMBL4385466

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.41
TPSA
44.48

LogP / Solubility

WLOGP
1.84
MLOGP
1.63
XLogP3
1.84
Consensus LogP
1.77
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

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

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