(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol

C12H16ClNO2 — CID 171265620

IUPAC(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol
SMILESCOc1ccc(Cl)cc1[C@@H](N)[C@@H](O)C1CC1
InChIInChI=1S/C12H16ClNO2/c1-16-10-5-4-8(13)6-9(10)11(14)12(15)7-2-3-7/h4-7,11-12,15H,2-3,14H2,1H3/t11-,12+/m1/s1
InChIKeyQZDRZOSWLSGGOT-NEPJUHHUSA-N
MW241.72 g/mol
LogP2.12
Rot. Bonds4

About (1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol

(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol (PubChem CID 171265620) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol
PubChem CID171265620
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol
SMILESCOc1ccc(Cl)cc1[C@@H](N)[C@@H](O)C1CC1
InChIInChI=1S/C12H16ClNO2/c1-16-10-5-4-8(13)6-9(10)11(14)12(15)7-2-3-7/h4-7,11-12,15H,2-3,14H2,1H3/t11-,12+/m1/s1
InChIKeyQZDRZOSWLSGGOT-NEPJUHHUSA-N
XLogP2.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171265627
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol
CID 130749346
(1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride
CID 171267302
(1R,2S)-2-amino-1-cyclobutyl-2-(2,5-dimethoxyphenyl)ethanol
CID 171162371
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171271304
4-amino-3-(5-chloro-2-methoxyphenyl)-1-cyclopropylbutan-2-ol
CID 65189958
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)propan-1-ol
CID 65189959
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
(1R,2S)-2-amino-1-cyclohexyl-2-(2,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171162374
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171262023
(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234667

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol?
The IUPAC name of (1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol (CID 171265620) is (1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol.
What is the SMILES notation for (1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol?
The canonical SMILES for (1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol is COc1ccc(Cl)cc1[C@@H](N)[C@@H](O)C1CC1.
What is the InChIKey of (1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol?
The InChIKey is QZDRZOSWLSGGOT-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-16-10-5-4-8(13)6-9(10)11(14)12(15)7-2-3-7/h4-7,11-12,15H,2-3,14H2,1H3/t11-,12+/m1/s1.
What are the key properties of (1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol?
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol has a molecular weight of 241.72 g/mol, XLogP of 2.12, 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-2-(5-chloro-2-methoxyphenyl)-1-cyclopropylethanol is sourced from PubChem (CID 171265620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).