2-[(4-methylphenyl)methyl]-N-phenylaniline

C20H19N — CID 11708854

IUPAC2-[(4-methylphenyl)methyl]-N-phenylaniline
SMILESCc1ccc(Cc2ccccc2Nc2ccccc2)cc1
InChIInChI=1S/C20H19N/c1-16-11-13-17(14-12-16)15-18-7-5-6-10-20(18)21-19-8-3-2-4-9-19/h2-14,21H,15H2,1H3
InChIKeyLSZNZFNGSSITCC-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.33
Rot. Bonds4

About 2-[(4-methylphenyl)methyl]-N-phenylaniline

2-[(4-methylphenyl)methyl]-N-phenylaniline (PubChem CID 11708854) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-N-phenylaniline.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-N-phenylaniline
PubChem CID11708854
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name2-[(4-methylphenyl)methyl]-N-phenylaniline
SMILESCc1ccc(Cc2ccccc2Nc2ccccc2)cc1
InChIInChI=1S/C20H19N/c1-16-11-13-17(14-12-16)15-18-7-5-6-10-20(18)21-19-8-3-2-4-9-19/h2-14,21H,15H2,1H3
InChIKeyLSZNZFNGSSITCC-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-N-phenylaniline?
The IUPAC name of 2-[(4-methylphenyl)methyl]-N-phenylaniline (CID 11708854) is 2-[(4-methylphenyl)methyl]-N-phenylaniline.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-N-phenylaniline?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-N-phenylaniline is Cc1ccc(Cc2ccccc2Nc2ccccc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-N-phenylaniline?
The InChIKey is LSZNZFNGSSITCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-16-11-13-17(14-12-16)15-18-7-5-6-10-20(18)21-19-8-3-2-4-9-19/h2-14,21H,15H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-N-phenylaniline?
2-[(4-methylphenyl)methyl]-N-phenylaniline has a molecular weight of 273.38 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-N-phenylaniline is sourced from PubChem (CID 11708854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).