4-(2-phenylpentan-2-yl)benzene-1,3-diamine

C17H22N2 — CID 19849987

IUPAC4-(2-phenylpentan-2-yl)benzene-1,3-diamine
SMILESCCCC(C)(c1ccccc1)c1ccc(N)cc1N
InChIInChI=1S/C17H22N2/c1-3-11-17(2,13-7-5-4-6-8-13)15-10-9-14(18)12-16(15)19/h4-10,12H,3,11,18-19H2,1-2H3
InChIKeyFWBIJZSLUQMAMU-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.96
Rot. Bonds4

About 4-(2-phenylpentan-2-yl)benzene-1,3-diamine

4-(2-phenylpentan-2-yl)benzene-1,3-diamine (PubChem CID 19849987) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-(2-phenylpentan-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-(2-phenylpentan-2-yl)benzene-1,3-diamine
PubChem CID19849987
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-(2-phenylpentan-2-yl)benzene-1,3-diamine
SMILESCCCC(C)(c1ccccc1)c1ccc(N)cc1N
InChIInChI=1S/C17H22N2/c1-3-11-17(2,13-7-5-4-6-8-13)15-10-9-14(18)12-16(15)19/h4-10,12H,3,11,18-19H2,1-2H3
InChIKeyFWBIJZSLUQMAMU-UHFFFAOYSA-N
XLogP3.96
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-chloro-1-phenylbutan-1-amine
CID 174514762
4-[2-(4-aminophenyl)-1-phenylpropan-2-yl]aniline
CID 59136544
2-hydroxy-6-methyl-3-(2-phenylpentan-2-yl)benzoic acid
CID 14883392
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline
CID 22315966
4-(1-phenylpropyl)benzene-1,3-diamine
CID 19849951
7-methyl-3-(2-phenylpentan-2-yl)-1H-indole
CID 58731174
2,2-dimethylpentylbenzene
CID 15727699
3-tert-butylaniline;tert-butylbenzene
CID 158494400
2-[2-(2-aminophenyl)butan-2-yl]aniline
CID 139712406
3-[(2R)-2-aminobutan-2-yl]aniline
CID 131128672
1-(1,2-diphenylpropan-2-yl)-2-ethylbenzene
CID 173399358
3-phenylhexan-3-amine
CID 60794511

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylpentan-2-yl)benzene-1,3-diamine?
The IUPAC name of 4-(2-phenylpentan-2-yl)benzene-1,3-diamine (CID 19849987) is 4-(2-phenylpentan-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-(2-phenylpentan-2-yl)benzene-1,3-diamine?
The canonical SMILES for 4-(2-phenylpentan-2-yl)benzene-1,3-diamine is CCCC(C)(c1ccccc1)c1ccc(N)cc1N.
What is the InChIKey of 4-(2-phenylpentan-2-yl)benzene-1,3-diamine?
The InChIKey is FWBIJZSLUQMAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-11-17(2,13-7-5-4-6-8-13)15-10-9-14(18)12-16(15)19/h4-10,12H,3,11,18-19H2,1-2H3.
What are the key properties of 4-(2-phenylpentan-2-yl)benzene-1,3-diamine?
4-(2-phenylpentan-2-yl)benzene-1,3-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylpentan-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 19849987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).