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

C22H23N — CID 142315588

IUPAC2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline
SMILESCc1ccc(CN(c2ccccc2)c2ccc(C)cc2C)cc1
InChIInChI=1S/C22H23N/c1-17-9-12-20(13-10-17)16-23(21-7-5-4-6-8-21)22-14-11-18(2)15-19(22)3/h4-15H,16H2,1-3H3
InChIKeyOCQYMIULKSZQKF-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.95
Rot. Bonds4

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

2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline (PubChem CID 142315588) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline
PubChem CID142315588
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline
SMILESCc1ccc(CN(c2ccccc2)c2ccc(C)cc2C)cc1
InChIInChI=1S/C22H23N/c1-17-9-12-20(13-10-17)16-23(21-7-5-4-6-8-21)22-14-11-18(2)15-19(22)3/h4-15H,16H2,1-3H3
InChIKeyOCQYMIULKSZQKF-UHFFFAOYSA-N
XLogP5.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline?
The IUPAC name of 2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline (CID 142315588) is 2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline.
What is the SMILES notation for 2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline?
The canonical SMILES for 2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline is Cc1ccc(CN(c2ccccc2)c2ccc(C)cc2C)cc1.
What is the InChIKey of 2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline?
The InChIKey is OCQYMIULKSZQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-17-9-12-20(13-10-17)16-23(21-7-5-4-6-8-21)22-14-11-18(2)15-19(22)3/h4-15H,16H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline?
2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline has a molecular weight of 301.43 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline is sourced from PubChem (CID 142315588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).