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CAS 1185579-44-5 2-(4-Methoxyphenyl)propan-2-aMine, HCl molecular structure lightbox
CAS RN: 1185579-44-5

2-(4-Methoxyphenyl)propan-2-aMine, HCl

  • Product code: SSC-018411
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1185579-44-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1185579-44-5 / 2-(4-methoxyphenyl)propan-2-amine;hydrochloride

2-(4-Methoxyphenyl)propan-2-amine hydrochloride | 2-(4-Methoxyphenyl)propan-2-amine, HCl | MFCD11841277

Standard CAS: 1185579-44-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1185579-44-5
Multi CAS
No
Molecular Formula
C10H16ClNO
Molecular Weight
201.690000
Exact Mass
201.092042
SMILES
CC(C)(C1=CC=C(C=C1)OC)N.Cl
InChI
InChI=1S/C10H15NO.ClH/c1-10(2,11)8-4-6-9(12-3)7-5-8;/h4-7H,11H2,1-3H3;1H
InChIKey
IURPCNYYYMLRSW-UHFFFAOYSA-N
Synonyms
2-(4-Methoxyphenyl)propan-2-amine hydrochloride 2-(4-Methoxyphenyl)propan-2-amine, HCl MFCD11841277 2-(4-methoxyphenyl)propan-2-amine;hydrochloride [1-(4-Methoxyphenyl)-1-methylethyl]amine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.46
TPSA
35.25

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2.31
Consensus LogP
2.22
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-2.31

Drug-likeness / Medicinal Chemistry

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

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