CAS RN: 1338222-50-6
2-(2-Methoxyphenyl)propan-2-amine HCl
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251017 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1338222-50-6
- Purity/Analytical Methods: >99.0%
1338222-50-6 / 2-(2-methoxyphenyl)propan-2-amine;hydrochloride
Basic Information
CAS
1338222-50-6
Multi CAS
No
Molecular Formula
C10H16ClNO
Molecular Weight
201.690000
Exact Mass
201.092042
SMILES
CC(C)(C1=CC=CC=C1OC)N.Cl
InChI
InChI=1S/C10H15NO.ClH/c1-10(2,11)8-6-4-5-7-9(8)12-3;/h4-7H,11H2,1-3H3;1H
InChIKey
YHQHTXFCLGHENC-UHFFFAOYSA-N
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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