4-(2,4-dimethylpentyl)-N-phenylaniline

C19H25N — CID 71054537

IUPAC4-(2,4-dimethylpentyl)-N-phenylaniline
SMILESCC(C)CC(C)Cc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H25N/c1-15(2)13-16(3)14-17-9-11-19(12-10-17)20-18-7-5-4-6-8-18/h4-12,15-16,20H,13-14H2,1-3H3
InChIKeyGISULULBUHNPLA-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.65
Rot. Bonds6

About 4-(2,4-dimethylpentyl)-N-phenylaniline

4-(2,4-dimethylpentyl)-N-phenylaniline (PubChem CID 71054537) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-(2,4-dimethylpentyl)-N-phenylaniline.

Molecular Properties

Compound Name4-(2,4-dimethylpentyl)-N-phenylaniline
PubChem CID71054537
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name4-(2,4-dimethylpentyl)-N-phenylaniline
SMILESCC(C)CC(C)Cc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H25N/c1-15(2)13-16(3)14-17-9-11-19(12-10-17)20-18-7-5-4-6-8-18/h4-12,15-16,20H,13-14H2,1-3H3
InChIKeyGISULULBUHNPLA-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-4-(2,4-dimethylpentyl)benzene
CID 147045778
N-[(2S)-4-methyl-1-phenylpentan-2-yl]aniline
CID 86314144
4-N-[4-(4-anilinoanilino)pentan-2-yl]-1-N-phenylbenzene-1,4-diamine
CID 129234717
N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline
CID 157120065
N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline
CID 159021817
(4-methyl-2-propan-2-ylpentyl)benzene
CID 59105661
4-N-(5-methylheptan-3-yl)-1-N-phenylbenzene-1,4-diamine
CID 19781413
4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid
CID 122044135
ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline
CID 91580530
[(2S,4R)-5-iodo-2,4-dimethylpentyl]benzene
CID 11001118
4-N-[4-(2,4,4-trimethylpentyl)phenyl]benzene-1,4-diamine
CID 89079895
4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine
CID 10981440

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpentyl)-N-phenylaniline?
The IUPAC name of 4-(2,4-dimethylpentyl)-N-phenylaniline (CID 71054537) is 4-(2,4-dimethylpentyl)-N-phenylaniline.
What is the SMILES notation for 4-(2,4-dimethylpentyl)-N-phenylaniline?
The canonical SMILES for 4-(2,4-dimethylpentyl)-N-phenylaniline is CC(C)CC(C)Cc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-(2,4-dimethylpentyl)-N-phenylaniline?
The InChIKey is GISULULBUHNPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-15(2)13-16(3)14-17-9-11-19(12-10-17)20-18-7-5-4-6-8-18/h4-12,15-16,20H,13-14H2,1-3H3.
What are the key properties of 4-(2,4-dimethylpentyl)-N-phenylaniline?
4-(2,4-dimethylpentyl)-N-phenylaniline has a molecular weight of 267.42 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpentyl)-N-phenylaniline is sourced from PubChem (CID 71054537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).