3-[(1S,3S)-3-[(2-phenylphenyl)methoxy]cyclopentyl]propan-1-amine

C21H27NO — CID 54459645

IUPAC3-[(1S,3S)-3-[(2-phenylphenyl)methoxy]cyclopentyl]propan-1-amine
SMILESNCCC[C@H]1CC[C@H](OCc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C21H27NO/c22-14-6-7-17-12-13-20(15-17)23-16-19-10-4-5-11-21(19)18-8-2-1-3-9-18/h1-5,8-11,17,20H,6-7,12-16,22H2/t17-,20-/m0/s1
InChIKeyXASKVOVLJOKACT-PXNSSMCTSA-N
MW309.45 g/mol
LogP4.78
Rot. Bonds7

About 3-[(1S,3S)-3-[(2-phenylphenyl)methoxy]cyclopentyl]propan-1-amine

3-[(1S,3S)-3-[(2-phenylphenyl)methoxy]cyclopentyl]propan-1-amine (PubChem CID 54459645) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-[(1S,3S)-3-[(2-phenylphenyl)methoxy]cyclopentyl]propan-1-amine.

Molecular Properties

Compound Name3-[(1S,3S)-3-[(2-phenylphenyl)methoxy]cyclopentyl]propan-1-amine
PubChem CID54459645
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name3-[(1S,3S)-3-[(2-phenylphenyl)methoxy]cyclopentyl]propan-1-amine
SMILESNCCC[C@H]1CC[C@H](OCc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C21H27NO/c22-14-6-7-17-12-13-20(15-17)23-16-19-10-4-5-11-21(19)18-8-2-1-3-9-18/h1-5,8-11,17,20H,6-7,12-16,22H2/t17-,20-/m0/s1
InChIKeyXASKVOVLJOKACT-PXNSSMCTSA-N
XLogP4.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(1S,3S)-3-[(2-phenylphenyl)methoxy]cyclopentyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,3S)-3-[(2-phenylphenyl)methoxy]cyclopentyl]propan-1-amine?
The IUPAC name of 3-[(1S,3S)-3-[(2-phenylphenyl)methoxy]cyclopentyl]propan-1-amine (CID 54459645) is 3-[(1S,3S)-3-[(2-phenylphenyl)methoxy]cyclopentyl]propan-1-amine.
What is the SMILES notation for 3-[(1S,3S)-3-[(2-phenylphenyl)methoxy]cyclopentyl]propan-1-amine?
The canonical SMILES for 3-[(1S,3S)-3-[(2-phenylphenyl)methoxy]cyclopentyl]propan-1-amine is NCCC[C@H]1CC[C@H](OCc2ccccc2-c2ccccc2)C1.
What is the InChIKey of 3-[(1S,3S)-3-[(2-phenylphenyl)methoxy]cyclopentyl]propan-1-amine?
The InChIKey is XASKVOVLJOKACT-PXNSSMCTSA-N. The full InChI is InChI=1S/C21H27NO/c22-14-6-7-17-12-13-20(15-17)23-16-19-10-4-5-11-21(19)18-8-2-1-3-9-18/h1-5,8-11,17,20H,6-7,12-16,22H2/t17-,20-/m0/s1.
What are the key properties of 3-[(1S,3S)-3-[(2-phenylphenyl)methoxy]cyclopentyl]propan-1-amine?
3-[(1S,3S)-3-[(2-phenylphenyl)methoxy]cyclopentyl]propan-1-amine has a molecular weight of 309.45 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,3S)-3-[(2-phenylphenyl)methoxy]cyclopentyl]propan-1-amine is sourced from PubChem (CID 54459645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).