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CAS 140621-41-6 [1,1′-Biphenyl]-4-methanamine, α,α-dimethyl- molecular structure lightbox
CAS RN: 140621-41-6

[1,1′-Biphenyl]-4-methanamine, α,α-dimethyl-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250803 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS140621-41-6
  • Purity/Analytical Methods: >99.0%
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140621-41-6 / 2-(4-phenylphenyl)propan-2-amine

Standard CAS: 140621-41-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
140621-41-6
Multi CAS
No
Molecular Formula
C15H17N
Molecular Weight
211.300000
Exact Mass
211.136100
SMILES
CC(C)(C1=CC=C(C=C1)C2=CC=CC=C2)N
InChI
InChI=1S/C15H17N/c1-15(2,16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,16H2,1-2H3
InChIKey
CKJGGRVGNROOBA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
69.09
TPSA
26.02

LogP / Solubility

WLOGP
3.55
MLOGP
3.12
XLogP3
3.7
Consensus LogP
3.46
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
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)
-1.49

Drug-likeness / Medicinal Chemistry

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

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