5-phenyl-N-[(2S)-1-phenylpropan-2-yl]pentan-1-amine

C20H27N — CID 10265752

IUPAC5-phenyl-N-[(2S)-1-phenylpropan-2-yl]pentan-1-amine
SMILESC[C@@H](Cc1ccccc1)NCCCCCc1ccccc1
InChIInChI=1S/C20H27N/c1-18(17-20-14-7-3-8-15-20)21-16-10-4-9-13-19-11-5-2-6-12-19/h2-3,5-8,11-12,14-15,18,21H,4,9-10,13,16-17H2,1H3/t18-/m0/s1
InChIKeyHJSNGVRGYKYSOZ-SFHVURJKSA-N
MW281.44 g/mol
LogP4.62
Rot. Bonds9

About 5-phenyl-N-[(2S)-1-phenylpropan-2-yl]pentan-1-amine

5-phenyl-N-[(2S)-1-phenylpropan-2-yl]pentan-1-amine (PubChem CID 10265752) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 5-phenyl-N-[(2S)-1-phenylpropan-2-yl]pentan-1-amine.

Molecular Properties

Compound Name5-phenyl-N-[(2S)-1-phenylpropan-2-yl]pentan-1-amine
PubChem CID10265752
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name5-phenyl-N-[(2S)-1-phenylpropan-2-yl]pentan-1-amine
SMILESC[C@@H](Cc1ccccc1)NCCCCCc1ccccc1
InChIInChI=1S/C20H27N/c1-18(17-20-14-7-3-8-15-20)21-16-10-4-9-13-19-11-5-2-6-12-19/h2-3,5-8,11-12,14-15,18,21H,4,9-10,13,16-17H2,1H3/t18-/m0/s1
InChIKeyHJSNGVRGYKYSOZ-SFHVURJKSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.62
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 5-phenyl-N-[(2S)-1-phenylpropan-2-yl]pentan-1-amine?
The IUPAC name of 5-phenyl-N-[(2S)-1-phenylpropan-2-yl]pentan-1-amine (CID 10265752) is 5-phenyl-N-[(2S)-1-phenylpropan-2-yl]pentan-1-amine.
What is the SMILES notation for 5-phenyl-N-[(2S)-1-phenylpropan-2-yl]pentan-1-amine?
The canonical SMILES for 5-phenyl-N-[(2S)-1-phenylpropan-2-yl]pentan-1-amine is C[C@@H](Cc1ccccc1)NCCCCCc1ccccc1.
What is the InChIKey of 5-phenyl-N-[(2S)-1-phenylpropan-2-yl]pentan-1-amine?
The InChIKey is HJSNGVRGYKYSOZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N/c1-18(17-20-14-7-3-8-15-20)21-16-10-4-9-13-19-11-5-2-6-12-19/h2-3,5-8,11-12,14-15,18,21H,4,9-10,13,16-17H2,1H3/t18-/m0/s1.
What are the key properties of 5-phenyl-N-[(2S)-1-phenylpropan-2-yl]pentan-1-amine?
5-phenyl-N-[(2S)-1-phenylpropan-2-yl]pentan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(2S)-1-phenylpropan-2-yl]pentan-1-amine is sourced from PubChem (CID 10265752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).