[email protected]
CAS 27917-13-1 5-CHLORO-2-METHYLBENZYLAMINE molecular structure lightbox
CAS RN: 27917-13-1

5-CHLORO-2-METHYLBENZYLAMINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250306 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS27917-13-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

27917-13-1 / (5-chloro-2-methylphenyl)methanamine

Standard CAS: 27917-13-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27917-13-1
Multi CAS
No
Molecular Formula
C8H10ClN
Molecular Weight
155.620000
Exact Mass
155.050177
InChI
InChI=1S/C8H10ClN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,5,10H2,1H3
InChIKey
WXDWGQCDPGFBEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.08
TPSA
26.02

LogP / Solubility

WLOGP
2.11
MLOGP
1.85
XLogP3
2.3
Consensus LogP
2.09
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us