2-benzyl-3,4-dimethyl-N-phenylaniline

C21H21N — CID 141073305

IUPAC2-benzyl-3,4-dimethyl-N-phenylaniline
SMILESCc1ccc(Nc2ccccc2)c(Cc2ccccc2)c1C
InChIInChI=1S/C21H21N/c1-16-13-14-21(22-19-11-7-4-8-12-19)20(17(16)2)15-18-9-5-3-6-10-18/h3-14,22H,15H2,1-2H3
InChIKeyQXFQUATXHVVMRQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.64
Rot. Bonds4

About 2-benzyl-3,4-dimethyl-N-phenylaniline

2-benzyl-3,4-dimethyl-N-phenylaniline (PubChem CID 141073305) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-benzyl-3,4-dimethyl-N-phenylaniline.

Molecular Properties

Compound Name2-benzyl-3,4-dimethyl-N-phenylaniline
PubChem CID141073305
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name2-benzyl-3,4-dimethyl-N-phenylaniline
SMILESCc1ccc(Nc2ccccc2)c(Cc2ccccc2)c1C
InChIInChI=1S/C21H21N/c1-16-13-14-21(22-19-11-7-4-8-12-19)20(17(16)2)15-18-9-5-3-6-10-18/h3-14,22H,15H2,1-2H3
InChIKeyQXFQUATXHVVMRQ-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline
CID 159021817
2,3-dimethyl-N-phenylaniline
CID 14952469
tris(2-benzyl-3,4-dimethylphenyl)-chlorosilane
CID 88962541
2-benzyl-3,4-dimethylbenzenesulfonamide
CID 70397588
benzylbenzene;ethane;bis(N-phenylnaphthalen-1-amine)
CID 157375605
5-benzyl-6-methyl-N-phenylpyrimidin-4-amine
CID 172636149
2-[(4-methylphenyl)methyl]-N-phenylaniline
CID 11708854
benzylbenzene;ethane;methanamine
CID 54117827
phenyl(113C)methylbenzene
CID 11194569
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1,4-dibenzylbenzene;ethane
CID 91406396
2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 159020840

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,4-dimethyl-N-phenylaniline?
The IUPAC name of 2-benzyl-3,4-dimethyl-N-phenylaniline (CID 141073305) is 2-benzyl-3,4-dimethyl-N-phenylaniline.
What is the SMILES notation for 2-benzyl-3,4-dimethyl-N-phenylaniline?
The canonical SMILES for 2-benzyl-3,4-dimethyl-N-phenylaniline is Cc1ccc(Nc2ccccc2)c(Cc2ccccc2)c1C.
What is the InChIKey of 2-benzyl-3,4-dimethyl-N-phenylaniline?
The InChIKey is QXFQUATXHVVMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-16-13-14-21(22-19-11-7-4-8-12-19)20(17(16)2)15-18-9-5-3-6-10-18/h3-14,22H,15H2,1-2H3.
What are the key properties of 2-benzyl-3,4-dimethyl-N-phenylaniline?
2-benzyl-3,4-dimethyl-N-phenylaniline has a molecular weight of 287.41 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,4-dimethyl-N-phenylaniline is sourced from PubChem (CID 141073305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).