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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Related Compounds

N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
CID 86720787
N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline
CID 130387749
4-[4-(N-benzyl-2,4-dimethylanilino)cyclohexa-2,5-dien-1-ylidene]-2-[4-(N-benzyl-2,4-dimethylanilino)phenyl]-3-hydroxycyclobut-2-en-1-one
CID 166057766
3-N-(2,4-dimethylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 54226446
methanimine;4-methyl-N-[[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]methyl]-N-phenylaniline
CID 143688423
[4-(N-ethyl-4-methylanilino)-3-methylphenyl]methanol
CID 62122401
4-[(N,2,4-trimethylanilino)methyl]phenol
CID 82972802
N-(2,4-dimethylphenyl)-N-phenylacetamide
CID 10537956
1-N,1-N,2-N,2-N-tetrakis(2,4-dimethylphenyl)benzene-1,2-diamine
CID 11813371
22-N-(4-methylphenyl)-10-N,10-N,22-N-triphenyl-6,18-bis[(N-phenylanilino)methyl]-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3(8),4,6,9,11,13(26),15(20),16,18,21,23-dodecaene-10,22-diamine
CID 168856560
4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline
CID 59925649
4-[N-benzyl-4-(N-benzyl-4-methylanilino)anilino]benzonitrile
CID 150089976

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).