2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-propan-2-ylaniline

C24H27N — CID 138572544

IUPAC2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-propan-2-ylaniline
SMILESCc1ccc(-c2ccc(N(c3ccc(C)cc3C)C(C)C)cc2)cc1
InChIInChI=1S/C24H27N/c1-17(2)25(24-15-8-19(4)16-20(24)5)23-13-11-22(12-14-23)21-9-6-18(3)7-10-21/h6-17H,1-5H3
InChIKeyPBBLOGBCRBUUFF-UHFFFAOYSA-N
MW329.49 g/mol
LogP6.83
Rot. Bonds4

About 2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-propan-2-ylaniline

2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-propan-2-ylaniline (PubChem CID 138572544) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-propan-2-ylaniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-propan-2-ylaniline
PubChem CID138572544
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-propan-2-ylaniline
SMILESCc1ccc(-c2ccc(N(c3ccc(C)cc3C)C(C)C)cc2)cc1
InChIInChI=1S/C24H27N/c1-17(2)25(24-15-8-19(4)16-20(24)5)23-13-11-22(12-14-23)21-9-6-18(3)7-10-21/h6-17H,1-5H3
InChIKeyPBBLOGBCRBUUFF-UHFFFAOYSA-N
XLogP6.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-diphenylethyl)-N-[4-[4-[4-[N-(2,2-diphenylethyl)-2,4-dimethylanilino]phenyl]phenyl]phenyl]-2,4-dimethylaniline
CID 130387749
N-[4-[4-[N-(2,4-dimethylphenyl)-4-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-N,2,4-trimethylaniline
CID 23594446
N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline
CID 55190482
4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine
CID 101478385
N-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline
CID 126691445
2,5-dimethyl-N-(2-methylphenyl)-N-propan-2-ylaniline
CID 162714206
2,4,6-trimethyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-[4-[4-[4-[4-(4-methyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]-N-(2,4,6-trimethylphenyl)anilino]phenyl]-N-(2,4,6-trimethylphenyl)anilino]phenyl]-N-(2,4,6-trimethylphenyl)anilino]phenyl]phenyl]aniline
CID 90265211
2-methyl-4-[3-methyl-4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 71277286
6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[4-[2-(4-propan-2-ylphenyl)phenyl]phenyl]chrysene-6,12-diamine
CID 140561610
3,4-dimethoxy-N-(4-methylphenyl)-N-propan-2-ylaniline
CID 177401389
4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline
CID 173154873
N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline
CID 59408570

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-propan-2-ylaniline?
The IUPAC name of 2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-propan-2-ylaniline (CID 138572544) is 2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-propan-2-ylaniline.
What is the SMILES notation for 2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-propan-2-ylaniline?
The canonical SMILES for 2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-propan-2-ylaniline is Cc1ccc(-c2ccc(N(c3ccc(C)cc3C)C(C)C)cc2)cc1.
What is the InChIKey of 2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-propan-2-ylaniline?
The InChIKey is PBBLOGBCRBUUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-17(2)25(24-15-8-19(4)16-20(24)5)23-13-11-22(12-14-23)21-9-6-18(3)7-10-21/h6-17H,1-5H3.
What are the key properties of 2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-propan-2-ylaniline?
2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-propan-2-ylaniline has a molecular weight of 329.49 g/mol, XLogP of 6.83, 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-(4-methylphenyl)phenyl]-N-propan-2-ylaniline is sourced from PubChem (CID 138572544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).