[(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol

C20H33NO — CID 23648613

IUPAC[(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol
SMILESCCCCCCCCc1ccc([C@H]2CC[C@@](N)(CO)C2)cc1
InChIInChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-14-20(21,15-19)16-22/h9-12,19,22H,2-8,13-16,21H2,1H3/t19-,20-/m0/s1
InChIKeyBLASFTPNKGQBNF-PMACEKPBSA-N
MW303.49 g/mol
LogP4.55
Rot. Bonds9

About [(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol

[(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol (PubChem CID 23648613) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is [(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol
PubChem CID23648613
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name[(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol
SMILESCCCCCCCCc1ccc([C@H]2CC[C@@](N)(CO)C2)cc1
InChIInChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-14-20(21,15-19)16-22/h9-12,19,22H,2-8,13-16,21H2,1H3/t19-,20-/m0/s1
InChIKeyBLASFTPNKGQBNF-PMACEKPBSA-N
XLogP4.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol 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 [(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol?
The IUPAC name of [(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol (CID 23648613) is [(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol.
What is the SMILES notation for [(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol?
The canonical SMILES for [(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol is CCCCCCCCc1ccc([C@H]2CC[C@@](N)(CO)C2)cc1.
What is the InChIKey of [(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol?
The InChIKey is BLASFTPNKGQBNF-PMACEKPBSA-N. The full InChI is InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-14-20(21,15-19)16-22/h9-12,19,22H,2-8,13-16,21H2,1H3/t19-,20-/m0/s1.
What are the key properties of [(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol?
[(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol has a molecular weight of 303.49 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol is sourced from PubChem (CID 23648613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).