CAS RN: 1171318-10-7
2-(4-METHYLPHENOXY)BENZYLAMINE HCL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250804 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1171318-10-7
- Purity/Analytical Methods: >99.0%
1171318-10-7 / [2-(4-methylphenoxy)phenyl]methanamine;hydrochloride
2-(4-Methylphenoxy)benzylamine hydrochloride | 2-(4-METHYLPHENOXY)BENZYLAMINE HCL | (2-(p-Tolyloxy)phenyl)methanamine hydrochloride
Basic Information
CAS
1171318-10-7
Multi CAS
No
Molecular Formula
C14H16ClNO
Molecular Weight
249.730000
Exact Mass
249.092042
SMILES
CC1=CC=C(C=C1)OC2=CC=CC=C2CN.Cl
InChI
InChI=1S/C14H15NO.ClH/c1-11-6-8-13(9-7-11)16-14-5-3-2-4-12(14)10-15;/h2-9H,10,15H2,1H3;1H
InChIKey
XMVXIOJPNLJZRD-UHFFFAOYSA-N
Synonyms
2-(4-Methylphenoxy)benzylamine hydrochloride
2-(4-METHYLPHENOXY)BENZYLAMINE HCL
(2-(p-Tolyloxy)phenyl)methanamine hydrochloride
2-(4-Methylphenoxy)benzylamine, HCl
MFCD03840021
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.83
TPSA
35.25
LogP / Solubility
WLOGP
3.67
MLOGP
3.23
XLogP3
3.67
Consensus LogP
3.52
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64
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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