2,3-dimethyl-N,5-diphenylaniline

C20H19N — CID 174892862

IUPAC2,3-dimethyl-N,5-diphenylaniline
SMILESCc1cc(-c2ccccc2)cc(Nc2ccccc2)c1C
InChIInChI=1S/C20H19N/c1-15-13-18(17-9-5-3-6-10-17)14-20(16(15)2)21-19-11-7-4-8-12-19/h3-14,21H,1-2H3
InChIKeyDCMBSOVDYIISAK-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.71
Rot. Bonds3

About 2,3-dimethyl-N,5-diphenylaniline

2,3-dimethyl-N,5-diphenylaniline (PubChem CID 174892862) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 2,3-dimethyl-N,5-diphenylaniline.

Molecular Properties

Compound Name2,3-dimethyl-N,5-diphenylaniline
PubChem CID174892862
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name2,3-dimethyl-N,5-diphenylaniline
SMILESCc1cc(-c2ccccc2)cc(Nc2ccccc2)c1C
InChIInChI=1S/C20H19N/c1-15-13-18(17-9-5-3-6-10-17)14-20(16(15)2)21-19-11-7-4-8-12-19/h3-14,21H,1-2H3
InChIKeyDCMBSOVDYIISAK-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-N,3-N,5-triphenylbenzene-1,3-diamine
CID 162515867
2,3-dimethyl-N-phenylaniline
CID 14952469
5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane
CID 123394751
1,1'-biphenyl;3-methyl-N-phenylaniline
CID 19838437
ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene
CID 123939497
1-N,3-N-bis(4-tert-butylphenyl)-2-chloro-5-phenylbenzene-1,3-diamine
CID 155425008
1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene
CID 141408697
4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine
CID 118429250
3,6-dimethylidene-1-N,4-N-diphenylcyclohexa-1,4-diene-1,4-diamine
CID 91560764
3,5-dimethyl-1-N-phenylbenzene-1,2-diamine
CID 91671728
N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
CID 121262444
2-[3-[3-[2-[3-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-N-phenylaniline
CID 129054632

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N,5-diphenylaniline?
The IUPAC name of 2,3-dimethyl-N,5-diphenylaniline (CID 174892862) is 2,3-dimethyl-N,5-diphenylaniline.
What is the SMILES notation for 2,3-dimethyl-N,5-diphenylaniline?
The canonical SMILES for 2,3-dimethyl-N,5-diphenylaniline is Cc1cc(-c2ccccc2)cc(Nc2ccccc2)c1C.
What is the InChIKey of 2,3-dimethyl-N,5-diphenylaniline?
The InChIKey is DCMBSOVDYIISAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-15-13-18(17-9-5-3-6-10-17)14-20(16(15)2)21-19-11-7-4-8-12-19/h3-14,21H,1-2H3.
What are the key properties of 2,3-dimethyl-N,5-diphenylaniline?
2,3-dimethyl-N,5-diphenylaniline has a molecular weight of 273.38 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N,5-diphenylaniline is sourced from PubChem (CID 174892862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).