4-phenyl-N-(1-phenylpropan-2-yl)butan-1-amine

C19H25N — CID 14831233

IUPAC4-phenyl-N-(1-phenylpropan-2-yl)butan-1-amine
SMILESCC(Cc1ccccc1)NCCCCc1ccccc1
InChIInChI=1S/C19H25N/c1-17(16-19-13-6-3-7-14-19)20-15-9-8-12-18-10-4-2-5-11-18/h2-7,10-11,13-14,17,20H,8-9,12,15-16H2,1H3
InChIKeyLFAVXHNZCYGUPI-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.23
Rot. Bonds8

About 4-phenyl-N-(1-phenylpropan-2-yl)butan-1-amine

4-phenyl-N-(1-phenylpropan-2-yl)butan-1-amine (PubChem CID 14831233) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-phenyl-N-(1-phenylpropan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-phenyl-N-(1-phenylpropan-2-yl)butan-1-amine
PubChem CID14831233
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name4-phenyl-N-(1-phenylpropan-2-yl)butan-1-amine
SMILESCC(Cc1ccccc1)NCCCCc1ccccc1
InChIInChI=1S/C19H25N/c1-17(16-19-13-6-3-7-14-19)20-15-9-8-12-18-10-4-2-5-11-18/h2-7,10-11,13-14,17,20H,8-9,12,15-16H2,1H3
InChIKeyLFAVXHNZCYGUPI-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.23
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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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(1-phenylpropan-2-yl)butan-1-amine?
The IUPAC name of 4-phenyl-N-(1-phenylpropan-2-yl)butan-1-amine (CID 14831233) is 4-phenyl-N-(1-phenylpropan-2-yl)butan-1-amine.
What is the SMILES notation for 4-phenyl-N-(1-phenylpropan-2-yl)butan-1-amine?
The canonical SMILES for 4-phenyl-N-(1-phenylpropan-2-yl)butan-1-amine is CC(Cc1ccccc1)NCCCCc1ccccc1.
What is the InChIKey of 4-phenyl-N-(1-phenylpropan-2-yl)butan-1-amine?
The InChIKey is LFAVXHNZCYGUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-17(16-19-13-6-3-7-14-19)20-15-9-8-12-18-10-4-2-5-11-18/h2-7,10-11,13-14,17,20H,8-9,12,15-16H2,1H3.
What are the key properties of 4-phenyl-N-(1-phenylpropan-2-yl)butan-1-amine?
4-phenyl-N-(1-phenylpropan-2-yl)butan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(1-phenylpropan-2-yl)butan-1-amine is sourced from PubChem (CID 14831233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).