4-(1-phenylpropyl)benzene-1,3-diamine

C15H18N2 — CID 19849951

IUPAC4-(1-phenylpropyl)benzene-1,3-diamine
SMILESCCC(c1ccccc1)c1ccc(N)cc1N
InChIInChI=1S/C15H18N2/c1-2-13(11-6-4-3-5-7-11)14-9-8-12(16)10-15(14)17/h3-10,13H,2,16-17H2,1H3
InChIKeyAMAFKNLHSULFMS-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.39
Rot. Bonds3

About 4-(1-phenylpropyl)benzene-1,3-diamine

4-(1-phenylpropyl)benzene-1,3-diamine (PubChem CID 19849951) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(1-phenylpropyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-(1-phenylpropyl)benzene-1,3-diamine
PubChem CID19849951
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-(1-phenylpropyl)benzene-1,3-diamine
SMILESCCC(c1ccccc1)c1ccc(N)cc1N
InChIInChI=1S/C15H18N2/c1-2-13(11-6-4-3-5-7-11)14-9-8-12(16)10-15(14)17/h3-10,13H,2,16-17H2,1H3
InChIKeyAMAFKNLHSULFMS-UHFFFAOYSA-N
XLogP3.39
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.39
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

4-[(1R)-1-phenylpropyl]aniline
CID 164669947
4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine
CID 19849896
2-(1-phenyloctyl)benzene-1,4-diamine
CID 66646057
phenylmethanamine;1-phenylpropylbenzene
CID 19985231
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807
3-[2-[1-[2-(3-aminophenoxy)phenyl]propyl]phenoxy]aniline
CID 19042672
oxalic acid;1-phenylpropylbenzene
CID 67824543
4-[(2,4-diaminophenoxy)-phenylmethoxy]benzene-1,3-diamine
CID 141165191
4-[1-[4-hydroxy-3,5-bis(1-phenylpropyl)phenyl]ethyl]-2,6-bis(1-phenylpropyl)phenol
CID 71369615
5-[(3,5-diamino-2-methylphenyl)-phenylmethyl]-4-methylbenzene-1,3-diamine
CID 11045838
4-(1-methoxyethyl)benzene-1,3-diamine
CID 70601773
3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpropyl)benzene-1,3-diamine?
The IUPAC name of 4-(1-phenylpropyl)benzene-1,3-diamine (CID 19849951) is 4-(1-phenylpropyl)benzene-1,3-diamine.
What is the SMILES notation for 4-(1-phenylpropyl)benzene-1,3-diamine?
The canonical SMILES for 4-(1-phenylpropyl)benzene-1,3-diamine is CCC(c1ccccc1)c1ccc(N)cc1N.
What is the InChIKey of 4-(1-phenylpropyl)benzene-1,3-diamine?
The InChIKey is AMAFKNLHSULFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-13(11-6-4-3-5-7-11)14-9-8-12(16)10-15(14)17/h3-10,13H,2,16-17H2,1H3.
What are the key properties of 4-(1-phenylpropyl)benzene-1,3-diamine?
4-(1-phenylpropyl)benzene-1,3-diamine has a molecular weight of 226.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpropyl)benzene-1,3-diamine is sourced from PubChem (CID 19849951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).