(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol

C15H23NO3 — CID 171162145

IUPAC(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
SMILESCOc1cccc([C@H](N)[C@H](O)C2CCCC2)c1OC
InChIInChI=1S/C15H23NO3/c1-18-12-9-5-8-11(15(12)19-2)13(16)14(17)10-6-3-4-7-10/h5,8-10,13-14,17H,3-4,6-7,16H2,1-2H3/t13-,14+/m0/s1
InChIKeyUXVFPRHMZYVTBI-UONOGXRCSA-N
MW265.35 g/mol
LogP2.25
Rot. Bonds5

About (1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol

(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol (PubChem CID 171162145) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
PubChem CID171162145
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
SMILESCOc1cccc([C@H](N)[C@H](O)C2CCCC2)c1OC
InChIInChI=1S/C15H23NO3/c1-18-12-9-5-8-11(15(12)19-2)13(16)14(17)10-6-3-4-7-10/h5,8-10,13-14,17H,3-4,6-7,16H2,1-2H3/t13-,14+/m0/s1
InChIKeyUXVFPRHMZYVTBI-UONOGXRCSA-N
XLogP2.25
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-2-amino-1-cyclohexyl-2-(2,3,4-trimethoxyphenyl)ethanol;hydrochloride
CID 171160903
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol
CID 171266215
(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171261508
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 171268315
(S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218788
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride
CID 171266216
(1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171267308
(1S,2R)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171261620
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethoxyphenyl)ethanol;hydrochloride
CID 171267091
(S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218784
(1S,2R)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclobutylethanol;hydrochloride
CID 171261616
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171162154

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol?
The IUPAC name of (1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol (CID 171162145) is (1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol?
The canonical SMILES for (1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol is COc1cccc([C@H](N)[C@H](O)C2CCCC2)c1OC.
What is the InChIKey of (1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol?
The InChIKey is UXVFPRHMZYVTBI-UONOGXRCSA-N. The full InChI is InChI=1S/C15H23NO3/c1-18-12-9-5-8-11(15(12)19-2)13(16)14(17)10-6-3-4-7-10/h5,8-10,13-14,17H,3-4,6-7,16H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol?
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol has a molecular weight of 265.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol is sourced from PubChem (CID 171162145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).