[email protected]
CAS 1179634-13-9 2-AMino-2-(3-Methylphenyl)ethan-1-ol molecular structure lightbox
CAS RN: 1179634-13-9

2-AMino-2-(3-Methylphenyl)ethan-1-ol

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250717 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1179634-13-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1179634-13-9 / 2-amino-2-(3-methylphenyl)ethanol

Ethanol, 2-[(3-methylphenyl)amino]- | 2-m-Toluidinoethanol | m-Tolylethanolamine

Standard CAS: 1179634-13-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1179634-13-9
Multi CAS
Yes
Molecular Formula
C9H13NO
Molecular Weight
151.210000
Exact Mass
151.099714
SMILES
CC1=CC(=CC=C1)C(CO)N
InChI
InChI=1S/C9H13NO/c1-7-3-2-4-8(5-7)9(10)6-11/h2-5,9,11H,6,10H2,1H3
InChIKey
RJJLTGSKFNJQCZ-UHFFFAOYSA-N
Synonyms
Ethanol, 2-[(3-methylphenyl)amino]- 2-m-Toluidinoethanol m-Tolylethanolamine 2-m-Tolylaminoethanol 2-[(3-methylphenyl)amino]ethanol

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.19
TPSA
46.25

LogP / Solubility

WLOGP
0.99
MLOGP
0.86
XLogP3
0.5
Consensus LogP
0.78
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us