(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride

C14H21ClFNO2 — CID 171261508

IUPAC(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1c(F)cccc1[C@@H](N)[C@@H](O)C1CCCC1.Cl
InChIInChI=1S/C14H20FNO2.ClH/c1-18-14-10(7-4-8-11(14)15)12(16)13(17)9-5-2-3-6-9;/h4,7-9,12-13,17H,2-3,5-6,16H2,1H3;1H/t12-,13+;/m1./s1
InChIKeyPAJXEAPNRZTOQO-KZCZEQIWSA-N
MW289.78 g/mol
LogP2.81
Rot. Bonds4

About (1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride

(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride (PubChem CID 171261508) has the molecular formula C14H21ClFNO2 and a molecular weight of 289.78 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
PubChem CID171261508
Molecular FormulaC14H21ClFNO2
Molecular Weight289.78 g/mol
Exact Mass289.12
IUPAC Name(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1c(F)cccc1[C@@H](N)[C@@H](O)C1CCCC1.Cl
InChIInChI=1S/C14H20FNO2.ClH/c1-18-14-10(7-4-8-11(14)15)12(16)13(17)9-5-2-3-6-9;/h4,7-9,12-13,17H,2-3,5-6,16H2,1H3;1H/t12-,13+;/m1./s1
InChIKeyPAJXEAPNRZTOQO-KZCZEQIWSA-N
XLogP2.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
CID 171162145
(S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131440306
(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171201747
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 171268315
(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131184271
(1S,2R)-2-amino-1-cyclohexyl-2-(2,3,4-trimethoxyphenyl)ethanol;hydrochloride
CID 171160903
(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol
CID 171269957
(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol
CID 171268000
(2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171261516
(1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride
CID 171261502
(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171161475
2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol
CID 171260974

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride (CID 171261508) is (1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride is COc1c(F)cccc1[C@@H](N)[C@@H](O)C1CCCC1.Cl.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride?
The InChIKey is PAJXEAPNRZTOQO-KZCZEQIWSA-N. The full InChI is InChI=1S/C14H20FNO2.ClH/c1-18-14-10(7-4-8-11(14)15)12(16)13(17)9-5-2-3-6-9;/h4,7-9,12-13,17H,2-3,5-6,16H2,1H3;1H/t12-,13+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride?
(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride has a molecular weight of 289.78 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171261508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).