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CAS 1071935-18-6 2,4-Dimethyl-N-(4-methylphenyl)-N-phenylbenzenamine molecular structure lightbox
CAS RN: 1071935-18-6

2,4-Dimethyl-N-(4-methylphenyl)-N-phenylbenzenamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260530 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1071935-18-6
  • Purity/Analytical Methods: >99.0%
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1071935-18-6 / 2,4-dimethyl-N-(4-methylphenyl)-N-phenylaniline

2,4-Dimethyl-N-phenyl-N-(p-tolyl)aniline | 2,4-DIMETHYL-N-(4-METHYLPHENYL)-N-PHENYLBENZENAMINE | 2,4-dimethyl-N-(4-methylphenyl)-N-phenylaniline

Standard CAS: 1071935-18-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1071935-18-6
Multi CAS
No
Molecular Formula
C21H21N
Molecular Weight
287.400000
Exact Mass
287.167400
SMILES
CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C(C=C(C=C3)C)C
InChI
InChI=1S/C21H21N/c1-16-9-12-20(13-10-16)22(19-7-5-4-6-8-19)21-14-11-17(2)15-18(21)3/h4-15H,1-3H3
InChIKey
AKPKRGCTFSWQPK-UHFFFAOYSA-N
Synonyms
2,4-Dimethyl-N-phenyl-N-(p-tolyl)aniline 2,4-DIMETHYL-N-(4-METHYLPHENYL)-N-PHENYLBENZENAMINE 2,4-dimethyl-N-(4-methylphenyl)-N-phenylaniline SCHEMBL2307036 DTXSID50694731

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
95.34
TPSA
3.24

LogP / Solubility

WLOGP
6.08
MLOGP
5.36
XLogP3
6.3
Consensus LogP
5.91
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.94
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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