2,3-dimethyl-4,6-diphenylaniline

C20H19N — CID 139240980

IUPAC2,3-dimethyl-4,6-diphenylaniline
SMILESCc1c(-c2ccccc2)cc(-c2ccccc2)c(N)c1C
InChIInChI=1S/C20H19N/c1-14-15(2)20(21)19(17-11-7-4-8-12-17)13-18(14)16-9-5-3-6-10-16/h3-13H,21H2,1-2H3
InChIKeyWNKIRPNLXQARKK-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.22
Rot. Bonds2

About 2,3-dimethyl-4,6-diphenylaniline

2,3-dimethyl-4,6-diphenylaniline (PubChem CID 139240980) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 2,3-dimethyl-4,6-diphenylaniline.

Molecular Properties

Compound Name2,3-dimethyl-4,6-diphenylaniline
PubChem CID139240980
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name2,3-dimethyl-4,6-diphenylaniline
SMILESCc1c(-c2ccccc2)cc(-c2ccccc2)c(N)c1C
InChIInChI=1S/C20H19N/c1-14-15(2)20(21)19(17-11-7-4-8-12-17)13-18(14)16-9-5-3-6-10-16/h3-13H,21H2,1-2H3
InChIKeyWNKIRPNLXQARKK-UHFFFAOYSA-N
XLogP5.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386
hydrazine;1,2,3,4-tetramethyl-5-phenylbenzene
CID 174461689
4-methyl-5-phenylbenzene-1,3-diamine
CID 19849980
4-methyl-2,6-diphenylbenzene-1,3-diamine
CID 174990680
5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene
CID 58760870
2,4,6-tris(4-phenylphenyl)aniline
CID 4248420
4-methyl-3-phenylnaphthalen-1-amine;hydrochloride
CID 20977117
CID 18962676
CID 18962676
2-(3-methylphenyl)-6-phenylaniline
CID 150906011
(2,3,4-trimethyl-5-phenylphenyl)methanol
CID 87491208
2-methyl-3-phenylaniline
CID 10511683
2-amino-4-(4-methylphenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 880489

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4,6-diphenylaniline?
The IUPAC name of 2,3-dimethyl-4,6-diphenylaniline (CID 139240980) is 2,3-dimethyl-4,6-diphenylaniline.
What is the SMILES notation for 2,3-dimethyl-4,6-diphenylaniline?
The canonical SMILES for 2,3-dimethyl-4,6-diphenylaniline is Cc1c(-c2ccccc2)cc(-c2ccccc2)c(N)c1C.
What is the InChIKey of 2,3-dimethyl-4,6-diphenylaniline?
The InChIKey is WNKIRPNLXQARKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-14-15(2)20(21)19(17-11-7-4-8-12-17)13-18(14)16-9-5-3-6-10-16/h3-13H,21H2,1-2H3.
What are the key properties of 2,3-dimethyl-4,6-diphenylaniline?
2,3-dimethyl-4,6-diphenylaniline has a molecular weight of 273.38 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4,6-diphenylaniline is sourced from PubChem (CID 139240980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).