[email protected]
CAS 39959-81-4 [1-(3-CHLOROPHENYL)ETHYL](METHYL)AMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 39959-81-4

[1-(3-CHLOROPHENYL)ETHYL](METHYL)AMINE HYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260212 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS39959-81-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

39959-81-4 / 1-(3-chlorophenyl)-N-methylethanamine;hydrochloride

Standard CAS: 39959-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39959-81-4
Multi CAS
No
Molecular Formula
C9H13CL2N
Molecular Weight
206.110000
Exact Mass
205.042505
InChI
InChI=1S/C9H12ClN.ClH/c1-7(11-2)8-4-3-5-9(10)6-8;/h3-7,11H,1-2H3;1H
InChIKey
MINQBPMFWXNSKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.17
TPSA
12.03

LogP / Solubility

WLOGP
3.04
MLOGP
2.68
XLogP3
3.04
Consensus LogP
2.92
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-1.82

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us