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

C20H33NO — CID 25009740

IUPAC[(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol
SMILESCCCCCCCCc1ccc([C@H]2CCC(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-XJDOXCRVSA-N
MW303.49 g/mol
LogP4.55
Rot. Bonds9

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

[(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol (PubChem CID 25009740) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is [(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol
PubChem CID25009740
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name[(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol
SMILESCCCCCCCCc1ccc([C@H]2CCC(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-XJDOXCRVSA-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'}

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Related Compounds

[1-amino-3-(4-octylphenyl)cyclohexyl]methanol
CID 68937152
[(1S,3S)-1-amino-3-(4-heptylphenyl)cyclopentyl]methyl dihydrogen phosphate
CID 68942543
[(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol
CID 68940187
[1-(hydroxymethyl)-3-(4-octylphenyl)cyclopentyl]phosphonic acid
CID 11995898
[(1R,3S)-1-(hydroxymethyl)-3-(4-octylphenyl)cyclopentyl]carbamic acid
CID 68939894
[(1R,3S)-1-amino-3-[4-(7-methoxyheptyl)phenyl]cyclopentyl]methanol;trans-methyl (1R,3S)-1-amino-3-[4-(7-methoxyheptyl)phenyl]cyclopentane-1-carboxylate
CID 159219495
[(1R,3S)-1-amino-3-(5-octylthiophen-2-yl)cyclopentyl]methanol
CID 46853547
[(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol
CID 68941625
[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol
CID 67361364
[1-amino-3-(4-bromophenyl)cyclopentyl]methanol
CID 77272966
4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol
CID 19429970
tert-butyl N-[(1S,3S)-1-(hydroxymethyl)-3-(4-octylphenyl)cyclopentyl]carbamate
CID 134956578

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol?
The IUPAC name of [(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol (CID 25009740) is [(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol.
What is the SMILES notation for [(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol?
The canonical SMILES for [(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol is CCCCCCCCc1ccc([C@H]2CCC(N)(CO)C2)cc1.
What is the InChIKey of [(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol?
The InChIKey is BLASFTPNKGQBNF-XJDOXCRVSA-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 [(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol?
[(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 [(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol is sourced from PubChem (CID 25009740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).