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

C15H18N2 — CID 55058097

IUPAC3-N-(1-phenylpropyl)benzene-1,3-diamine
SMILESCCC(Nc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C15H18N2/c1-2-15(12-7-4-3-5-8-12)17-14-10-6-9-13(16)11-14/h3-11,15,17H,2,16H2,1H3
InChIKeyMIUXWXPIXFUDSG-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.83
Rot. Bonds4

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

3-N-(1-phenylpropyl)benzene-1,3-diamine (PubChem CID 55058097) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-N-(1-phenylpropyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-phenylpropyl)benzene-1,3-diamine
PubChem CID55058097
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name3-N-(1-phenylpropyl)benzene-1,3-diamine
SMILESCCC(Nc1cccc(N)c1)c1ccccc1
InChIInChI=1S/C15H18N2/c1-2-15(12-7-4-3-5-8-12)17-14-10-6-9-13(16)11-14/h3-11,15,17H,2,16H2,1H3
InChIKeyMIUXWXPIXFUDSG-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
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

3-N-benzhydrylbenzene-1,3-diamine
CID 43344281
5-N-(1-phenylpropyl)pyridine-3,5-diamine
CID 104534194
1-(3-aminophenyl)-3-(1-phenylpropyl)urea
CID 62304555
3-(methoxymethyl)-N-(1-phenylpropyl)aniline
CID 43672251
N-(1-phenylpropyl)-3-propoxyaniline
CID 43693763
3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 104591278
4-fluoro-3-methyl-N-(1-phenylpropyl)aniline
CID 62809853
4-(1-phenylpropylamino)phenol
CID 43742837
N-(1-phenylpropyl)-2,3-dihydro-1H-inden-5-amine
CID 43111184
1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 62305717
(1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride
CID 175066549
4-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)aniline
CID 63455924

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-phenylpropyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(1-phenylpropyl)benzene-1,3-diamine (CID 55058097) is 3-N-(1-phenylpropyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(1-phenylpropyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(1-phenylpropyl)benzene-1,3-diamine is CCC(Nc1cccc(N)c1)c1ccccc1.
What is the InChIKey of 3-N-(1-phenylpropyl)benzene-1,3-diamine?
The InChIKey is MIUXWXPIXFUDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-15(12-7-4-3-5-8-12)17-14-10-6-9-13(16)11-14/h3-11,15,17H,2,16H2,1H3.
What are the key properties of 3-N-(1-phenylpropyl)benzene-1,3-diamine?
3-N-(1-phenylpropyl)benzene-1,3-diamine has a molecular weight of 226.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-phenylpropyl)benzene-1,3-diamine is sourced from PubChem (CID 55058097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).