[email protected]
CAS 1201633-58-0 3-(3-Aminophenyl)-N-methylpropanamidehydrochloride molecular structure lightbox
CAS RN: 1201633-58-0

3-(3-Aminophenyl)-N-methylpropanamidehydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260311 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1201633-58-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1201633-58-0 / 3-(3-aminophenyl)-N-methylpropanamide;hydrochloride

3-(3-aminophenyl)-N-methylpropanamide hydrochloride | 3-(3-Aminophenyl)-N-methylpropanamidehydrochloride | MFCD12195864

Standard CAS: 1201633-58-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1201633-58-0
Multi CAS
No
Molecular Formula
C10H15ClN2O
Molecular Weight
214.690000
Exact Mass
214.087291
SMILES
CNC(=O)CCC1=CC(=CC=C1)N.Cl
InChI
InChI=1S/C10H14N2O.ClH/c1-12-10(13)6-5-8-3-2-4-9(11)7-8;/h2-4,7H,5-6,11H2,1H3,(H,12,13);1H
InChIKey
NZAKGMITRBAECM-UHFFFAOYSA-N
Synonyms
3-(3-aminophenyl)-N-methylpropanamide hydrochloride 3-(3-Aminophenyl)-N-methylpropanamidehydrochloride MFCD12195864 3-(3-aminophenyl)-N-methylpropanamide;hydrochloride 3-(3-aminophenyl)-N-methylpropanamide, chloride

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.49
TPSA
55.12

LogP / Solubility

WLOGP
1.37
MLOGP
1.21
XLogP3
1.37
Consensus LogP
1.32
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately 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)
-3.06

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

Customers Also Viewed

Get In Touch

Contact Us