1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride

C19H26ClN — CID 3027694

IUPAC1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
SMILESCCCC(NCCCc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C19H25N.ClH/c1-2-10-19(18-14-7-4-8-15-18)20-16-9-13-17-11-5-3-6-12-17;/h3-8,11-12,14-15,19-20H,2,9-10,13,16H2,1H3;1H
InChIKeyGDLXSFDFQZUYOY-UHFFFAOYSA-N
MW303.88 g/mol
LogP5.17
Rot. Bonds8

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

1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride (PubChem CID 3027694) has the molecular formula C19H26ClN and a molecular weight of 303.88 g/mol. Its IUPAC name is 1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
PubChem CID3027694
Molecular FormulaC19H26ClN
Molecular Weight303.88 g/mol
Exact Mass303.18
IUPAC Name1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
SMILESCCCC(NCCCc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C19H25N.ClH/c1-2-10-19(18-14-7-4-8-15-18)20-16-9-13-17-11-5-3-6-12-17;/h3-8,11-12,14-15,19-20H,2,9-10,13,16H2,1H3;1H
InChIKeyGDLXSFDFQZUYOY-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.88
LogP ≤ 55.17
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

5-methyl-N-(1-phenylbutyl)hexan-1-amine
CID 115324964
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CID 20642754
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CID 113350448
N-[2-(3-methylphenyl)ethyl]-1-phenylbutan-1-amine
CID 63477461
4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
CID 64502036
1-(4-fluorophenyl)-N-(3-phenylpropyl)propan-1-amine
CID 43096991
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
CID 43206929
N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352
1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
CID 104737019
N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 43108094

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride?
The IUPAC name of 1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride (CID 3027694) is 1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride.
What is the SMILES notation for 1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride?
The canonical SMILES for 1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride is CCCC(NCCCc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride?
The InChIKey is GDLXSFDFQZUYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N.ClH/c1-2-10-19(18-14-7-4-8-15-18)20-16-9-13-17-11-5-3-6-12-17;/h3-8,11-12,14-15,19-20H,2,9-10,13,16H2,1H3;1H.
What are the key properties of 1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride?
1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride has a molecular weight of 303.88 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 3027694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).