2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride

C18H24ClN — CID 13011907

IUPAC2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
SMILESCC(CNCCCc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C18H23N.ClH/c1-16(18-12-6-3-7-13-18)15-19-14-8-11-17-9-4-2-5-10-17;/h2-7,9-10,12-13,16,19H,8,11,14-15H2,1H3;1H
InChIKeyAYPJLMAEMLXWRS-UHFFFAOYSA-N
MW289.85 g/mol
LogP4.43
Rot. Bonds7

About 2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride

2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride (PubChem CID 13011907) has the molecular formula C18H24ClN and a molecular weight of 289.85 g/mol. Its IUPAC name is 2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
PubChem CID13011907
Molecular FormulaC18H24ClN
Molecular Weight289.85 g/mol
Exact Mass289.16
IUPAC Name2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
SMILESCC(CNCCCc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C18H23N.ClH/c1-16(18-12-6-3-7-13-18)15-19-14-8-11-17-9-4-2-5-10-17;/h2-7,9-10,12-13,16,19H,8,11,14-15H2,1H3;1H
InChIKeyAYPJLMAEMLXWRS-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000
N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17208769
N-(3-fluoropropyl)-2-phenylpropan-1-amine
CID 104591480
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
7-methyl-N-(2-phenylpropyl)octan-1-amine
CID 43081304
N-(3-methylsulfanylpropyl)-2-phenylpropan-1-amine
CID 43182086
4-phenyl-N-(2-phenylethyl)pentan-1-amine
CID 57323485
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 62315355
2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride?
The IUPAC name of 2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride (CID 13011907) is 2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride?
The canonical SMILES for 2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride is CC(CNCCCc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride?
The InChIKey is AYPJLMAEMLXWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N.ClH/c1-16(18-12-6-3-7-13-18)15-19-14-8-11-17-9-4-2-5-10-17;/h2-7,9-10,12-13,16,19H,8,11,14-15H2,1H3;1H.
What are the key properties of 2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride?
2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 13011907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).