3-N-(2-phenylpropyl)benzene-1,3-diamine

C15H18N2 — CID 104591278

IUPAC3-N-(2-phenylpropyl)benzene-1,3-diamine
SMILESCC(CNc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C15H18N2/c1-12(13-6-3-2-4-7-13)11-17-15-9-5-8-14(16)10-15/h2-10,12,17H,11,16H2,1H3
InChIKeyFVXNAUYEPKDULV-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.48
Rot. Bonds4

About 3-N-(2-phenylpropyl)benzene-1,3-diamine

3-N-(2-phenylpropyl)benzene-1,3-diamine (PubChem CID 104591278) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-N-(2-phenylpropyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-phenylpropyl)benzene-1,3-diamine
PubChem CID104591278
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name3-N-(2-phenylpropyl)benzene-1,3-diamine
SMILESCC(CNc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C15H18N2/c1-12(13-6-3-2-4-7-13)11-17-15-9-5-8-14(16)10-15/h2-10,12,17H,11,16H2,1H3
InChIKeyFVXNAUYEPKDULV-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.48
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

5-methyl-3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 113430182
3-N-(2-methylpropyl)benzene-1,3-diamine
CID 43132719
(1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride
CID 175066549
4-N-(2-phenylpropyl)pyridine-2,4-diamine
CID 104592493
3-(2-phenylpropylamino)benzoic acid
CID 43139349
N-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline
CID 60943830
3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142103
3-N-(1-phenylpropyl)benzene-1,3-diamine
CID 55058097
methyl 3-(2-phenylpropylamino)benzoate
CID 43321749
4-bromo-3-methyl-N-(2-phenylpropyl)aniline
CID 43102221
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
5-amino-2-(2-phenylpropylamino)benzoic acid
CID 104592149

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-phenylpropyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(2-phenylpropyl)benzene-1,3-diamine (CID 104591278) is 3-N-(2-phenylpropyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-phenylpropyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(2-phenylpropyl)benzene-1,3-diamine is CC(CNc1cccc(N)c1)c1ccccc1.
What is the InChIKey of 3-N-(2-phenylpropyl)benzene-1,3-diamine?
The InChIKey is FVXNAUYEPKDULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12(13-6-3-2-4-7-13)11-17-15-9-5-8-14(16)10-15/h2-10,12,17H,11,16H2,1H3.
What are the key properties of 3-N-(2-phenylpropyl)benzene-1,3-diamine?
3-N-(2-phenylpropyl)benzene-1,3-diamine has a molecular weight of 226.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-phenylpropyl)benzene-1,3-diamine is sourced from PubChem (CID 104591278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).