(1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride

C13H19Cl2NO3 — CID 171267302

IUPAC(1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride
SMILESCOc1ccc([C@H](N)[C@H](O)C2CC2)c(Cl)c1OC.Cl
InChIInChI=1S/C13H18ClNO3.ClH/c1-17-9-6-5-8(10(14)13(9)18-2)11(15)12(16)7-3-4-7;/h5-7,11-12,16H,3-4,15H2,1-2H3;1H/t11-,12+;/m0./s1
InChIKeyCENMEQGBABXOSR-ZVWHLABXSA-N
MW308.21 g/mol
LogP2.55
Rot. Bonds5

About (1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride

(1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride (PubChem CID 171267302) has the molecular formula C13H19Cl2NO3 and a molecular weight of 308.21 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride
PubChem CID171267302
Molecular FormulaC13H19Cl2NO3
Molecular Weight308.21 g/mol
Exact Mass307.07
IUPAC Name(1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride
SMILESCOc1ccc([C@H](N)[C@H](O)C2CC2)c(Cl)c1OC.Cl
InChIInChI=1S/C13H18ClNO3.ClH/c1-17-9-6-5-8(10(14)13(9)18-2)11(15)12(16)7-3-4-7;/h5-7,11-12,16H,3-4,15H2,1-2H3;1H/t11-,12+;/m0./s1
InChIKeyCENMEQGBABXOSR-ZVWHLABXSA-N
XLogP2.55
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclobutylethanol;hydrochloride
CID 171261616
(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
(1S,2R)-2-amino-1-cyclohexyl-2-(2,3,4-trimethoxyphenyl)ethanol;hydrochloride
CID 171160903
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol
CID 171265620
(1R,2S)-1-amino-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171261628
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171221548
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol;hydrochloride
CID 171266216
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-2,2-difluoroethanamine
CID 171247035
(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine
CID 171202015
(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxynaphthalen-1-yl)ethanol
CID 171266215
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
CID 171162145

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride?
The IUPAC name of (1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride (CID 171267302) is (1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride.
What is the SMILES notation for (1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride?
The canonical SMILES for (1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride is COc1ccc([C@H](N)[C@H](O)C2CC2)c(Cl)c1OC.Cl.
What is the InChIKey of (1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride?
The InChIKey is CENMEQGBABXOSR-ZVWHLABXSA-N. The full InChI is InChI=1S/C13H18ClNO3.ClH/c1-17-9-6-5-8(10(14)13(9)18-2)11(15)12(16)7-3-4-7;/h5-7,11-12,16H,3-4,15H2,1-2H3;1H/t11-,12+;/m0./s1.
What are the key properties of (1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride?
(1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride has a molecular weight of 308.21 g/mol, XLogP of 2.55, 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-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride is sourced from PubChem (CID 171267302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).