4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline

C23H25N — CID 70930364

IUPAC4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline
SMILESCc1ccc(CN(Cc2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H25N/c1-18-4-10-21(11-5-18)16-24(23-14-8-20(3)9-15-23)17-22-12-6-19(2)7-13-22/h4-15H,16-17H2,1-3H3
InChIKeyZUJPXDKPLXGRQX-UHFFFAOYSA-N
MW315.46 g/mol
LogP5.82
Rot. Bonds5

About 4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline

4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline (PubChem CID 70930364) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline
PubChem CID70930364
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline
SMILESCc1ccc(CN(Cc2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H25N/c1-18-4-10-21(11-5-18)16-24(23-14-8-20(3)9-15-23)17-22-12-6-19(2)7-13-22/h4-15H,16-17H2,1-3H3
InChIKeyZUJPXDKPLXGRQX-UHFFFAOYSA-N
XLogP5.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
N'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771400
N'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 28771619
N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline
CID 59639048
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline
CID 59805391
5-[bis[(4-methylphenyl)methyl]amino]benzene-1,3-dicarboxylic acid
CID 178047347
4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline
CID 166855419
N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline
CID 59105713
5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine
CID 55046705
1-methyl-1-[(4-methylphenyl)methyl]hydrazine
CID 82280119
4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid
CID 60839271

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline?
The IUPAC name of 4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline (CID 70930364) is 4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline?
The canonical SMILES for 4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline is Cc1ccc(CN(Cc2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline?
The InChIKey is ZUJPXDKPLXGRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-18-4-10-21(11-5-18)16-24(23-14-8-20(3)9-15-23)17-22-12-6-19(2)7-13-22/h4-15H,16-17H2,1-3H3.
What are the key properties of 4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline?
4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline has a molecular weight of 315.46 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 70930364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).