(1S)-N-[(1S)-1,3-diphenylpropoxy]-1-phenylpentan-1-amine

C26H31NO — CID 53469515

IUPAC(1S)-N-[(1S)-1,3-diphenylpropoxy]-1-phenylpentan-1-amine
SMILESCCCC[C@H](NO[C@@H](CCc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31NO/c1-2-3-19-25(23-15-9-5-10-16-23)27-28-26(24-17-11-6-12-18-24)21-20-22-13-7-4-8-14-22/h4-18,25-27H,2-3,19-21H2,1H3/t25-,26-/m0/s1
InChIKeyNNXSCMWWVVUWHB-UIOOFZCWSA-N
MW373.54 g/mol
LogP6.81
Rot. Bonds11

About (1S)-N-[(1S)-1,3-diphenylpropoxy]-1-phenylpentan-1-amine

(1S)-N-[(1S)-1,3-diphenylpropoxy]-1-phenylpentan-1-amine (PubChem CID 53469515) has the molecular formula C26H31NO and a molecular weight of 373.54 g/mol. Its IUPAC name is (1S)-N-[(1S)-1,3-diphenylpropoxy]-1-phenylpentan-1-amine.

Molecular Properties

Compound Name(1S)-N-[(1S)-1,3-diphenylpropoxy]-1-phenylpentan-1-amine
PubChem CID53469515
Molecular FormulaC26H31NO
Molecular Weight373.54 g/mol
Exact Mass373.24
IUPAC Name(1S)-N-[(1S)-1,3-diphenylpropoxy]-1-phenylpentan-1-amine
SMILESCCCC[C@H](NO[C@@H](CCc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31NO/c1-2-3-19-25(23-15-9-5-10-16-23)27-28-26(24-17-11-6-12-18-24)21-20-22-13-7-4-8-14-22/h4-18,25-27H,2-3,19-21H2,1H3/t25-,26-/m0/s1
InChIKeyNNXSCMWWVVUWHB-UIOOFZCWSA-N
XLogP6.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1S)-1,3-diphenylpropoxy]-1-phenylpentan-1-amine?
The IUPAC name of (1S)-N-[(1S)-1,3-diphenylpropoxy]-1-phenylpentan-1-amine (CID 53469515) is (1S)-N-[(1S)-1,3-diphenylpropoxy]-1-phenylpentan-1-amine.
What is the SMILES notation for (1S)-N-[(1S)-1,3-diphenylpropoxy]-1-phenylpentan-1-amine?
The canonical SMILES for (1S)-N-[(1S)-1,3-diphenylpropoxy]-1-phenylpentan-1-amine is CCCC[C@H](NO[C@@H](CCc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N-[(1S)-1,3-diphenylpropoxy]-1-phenylpentan-1-amine?
The InChIKey is NNXSCMWWVVUWHB-UIOOFZCWSA-N. The full InChI is InChI=1S/C26H31NO/c1-2-3-19-25(23-15-9-5-10-16-23)27-28-26(24-17-11-6-12-18-24)21-20-22-13-7-4-8-14-22/h4-18,25-27H,2-3,19-21H2,1H3/t25-,26-/m0/s1.
What are the key properties of (1S)-N-[(1S)-1,3-diphenylpropoxy]-1-phenylpentan-1-amine?
(1S)-N-[(1S)-1,3-diphenylpropoxy]-1-phenylpentan-1-amine has a molecular weight of 373.54 g/mol, XLogP of 6.81, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1S)-1,3-diphenylpropoxy]-1-phenylpentan-1-amine is sourced from PubChem (CID 53469515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).