2-methyl-3-(2-methylphenyl)-N-phenylaniline

C20H19N — CID 145291180

IUPAC2-methyl-3-(2-methylphenyl)-N-phenylaniline
SMILESCc1ccccc1-c1cccc(Nc2ccccc2)c1C
InChIInChI=1S/C20H19N/c1-15-9-6-7-12-18(15)19-13-8-14-20(16(19)2)21-17-10-4-3-5-11-17/h3-14,21H,1-2H3
InChIKeyBNPQOUBSHDLSAA-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.71
Rot. Bonds3

About 2-methyl-3-(2-methylphenyl)-N-phenylaniline

2-methyl-3-(2-methylphenyl)-N-phenylaniline (PubChem CID 145291180) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methyl-3-(2-methylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name2-methyl-3-(2-methylphenyl)-N-phenylaniline
PubChem CID145291180
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name2-methyl-3-(2-methylphenyl)-N-phenylaniline
SMILESCc1ccccc1-c1cccc(Nc2ccccc2)c1C
InChIInChI=1S/C20H19N/c1-15-9-6-7-12-18(15)19-13-8-14-20(16(19)2)21-17-10-4-3-5-11-17/h3-14,21H,1-2H3
InChIKeyBNPQOUBSHDLSAA-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

2,3-dimethyl-N-phenylaniline
CID 14952469
4-methyl-2-(2-methylphenyl)-N-phenylaniline
CID 70565029
3-methyl-1-N-phenylbenzene-1,2-diamine
CID 53424314
2-methyl-N-[4-(2-methylphenyl)phenyl]aniline
CID 144650096
N-(2-anilino-6-methylphenyl)hydroxylamine
CID 88948360
N-(2-methylphenyl)-2,3-diphenylaniline
CID 154510508
4-(2-methylphenyl)-2-N-phenylbenzene-1,2-diamine
CID 118429250
4-N-(3-ethyl-2-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 155386748
benzene;N,2-diphenylaniline
CID 175029921
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876874
2-(2-methylphenyl)sulfanyl-N-phenylaniline
CID 145291254
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylphenyl)-N-phenylaniline?
The IUPAC name of 2-methyl-3-(2-methylphenyl)-N-phenylaniline (CID 145291180) is 2-methyl-3-(2-methylphenyl)-N-phenylaniline.
What is the SMILES notation for 2-methyl-3-(2-methylphenyl)-N-phenylaniline?
The canonical SMILES for 2-methyl-3-(2-methylphenyl)-N-phenylaniline is Cc1ccccc1-c1cccc(Nc2ccccc2)c1C.
What is the InChIKey of 2-methyl-3-(2-methylphenyl)-N-phenylaniline?
The InChIKey is BNPQOUBSHDLSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-15-9-6-7-12-18(15)19-13-8-14-20(16(19)2)21-17-10-4-3-5-11-17/h3-14,21H,1-2H3.
What are the key properties of 2-methyl-3-(2-methylphenyl)-N-phenylaniline?
2-methyl-3-(2-methylphenyl)-N-phenylaniline 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-methyl-3-(2-methylphenyl)-N-phenylaniline is sourced from PubChem (CID 145291180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).