(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol

C14H20FNO2 — CID 171269957

IUPAC(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol
SMILESCOc1cccc(F)c1[C@H](N)[C@H](O)C1CCCC1
InChIInChI=1S/C14H20FNO2/c1-18-11-8-4-7-10(15)12(11)13(16)14(17)9-5-2-3-6-9/h4,7-9,13-14,17H,2-3,5-6,16H2,1H3/t13-,14+/m0/s1
InChIKeyZIRIKHYDITXXIK-UONOGXRCSA-N
MW253.32 g/mol
LogP2.39
Rot. Bonds4

About (1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol

(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol (PubChem CID 171269957) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol
PubChem CID171269957
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol
SMILESCOc1cccc(F)c1[C@H](N)[C@H](O)C1CCCC1
InChIInChI=1S/C14H20FNO2/c1-18-11-8-4-7-10(15)12(11)13(16)14(17)9-5-2-3-6-9/h4,7-9,13-14,17H,2-3,5-6,16H2,1H3/t13-,14+/m0/s1
InChIKeyZIRIKHYDITXXIK-UONOGXRCSA-N
XLogP2.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethoxyphenyl)ethanol;hydrochloride
CID 171267091
2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride
CID 171266126
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 171268315
cyclopropyl-(2-fluoro-6-methoxyphenyl)methanamine
CID 55269614
(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171261508
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
CID 171162145
(1R,2S)-2-amino-1-cyclopentyl-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
CID 171269045
(1R,2S)-2-amino-1-cyclopentyl-2-(4-fluoro-2-methoxyphenyl)ethanol
CID 171270206
(1R,2S)-2-amino-1-cyclopentyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161937
(1S,2R)-2-amino-1-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)ethanol;hydrochloride
CID 171159905
(1R,2S)-2-amino-1-cyclohexyl-2-(5-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171268203
2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol
CID 171235941

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol?
The IUPAC name of (1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol (CID 171269957) is (1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol?
The canonical SMILES for (1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol is COc1cccc(F)c1[C@H](N)[C@H](O)C1CCCC1.
What is the InChIKey of (1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol?
The InChIKey is ZIRIKHYDITXXIK-UONOGXRCSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-18-11-8-4-7-10(15)12(11)13(16)14(17)9-5-2-3-6-9/h4,7-9,13-14,17H,2-3,5-6,16H2,1H3/t13-,14+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol?
(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol has a molecular weight of 253.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-6-methoxyphenyl)ethanol is sourced from PubChem (CID 171269957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).