(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol

C11H14ClNO — CID 130803068

IUPAC(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol
SMILESN[C@H](c1ccc(Cl)cc1)[C@@H](O)C1CC1
InChIInChI=1S/C11H14ClNO/c12-9-5-3-7(4-6-9)10(13)11(14)8-1-2-8/h3-6,8,10-11,14H,1-2,13H2/t10-,11+/m1/s1
InChIKeyIBCVIMAWMBSPDB-MNOVXSKESA-N
MW211.69 g/mol
LogP2.11
Rot. Bonds3

About (1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol

(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol (PubChem CID 130803068) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol
PubChem CID130803068
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol
SMILESN[C@H](c1ccc(Cl)cc1)[C@@H](O)C1CC1
InChIInChI=1S/C11H14ClNO/c12-9-5-3-7(4-6-9)10(13)11(14)8-1-2-8/h3-6,8,10-11,14H,1-2,13H2/t10-,11+/m1/s1
InChIKeyIBCVIMAWMBSPDB-MNOVXSKESA-N
XLogP2.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
2-amino-1-cyclopropyl-2-phenylethanol
CID 62720038
(1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride
CID 171261933
(1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol
CID 171162391
(1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol
CID 171267876
4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzoic acid;hydrochloride
CID 171266506
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
CID 171264329
(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171267796
(1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 171159870
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
(1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol
CID 171161318
(1R,2S)-2-amino-1-cyclopentyl-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 171162489

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol?
The IUPAC name of (1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol (CID 130803068) is (1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol.
What is the SMILES notation for (1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol?
The canonical SMILES for (1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol is N[C@H](c1ccc(Cl)cc1)[C@@H](O)C1CC1.
What is the InChIKey of (1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol?
The InChIKey is IBCVIMAWMBSPDB-MNOVXSKESA-N. The full InChI is InChI=1S/C11H14ClNO/c12-9-5-3-7(4-6-9)10(13)11(14)8-1-2-8/h3-6,8,10-11,14H,1-2,13H2/t10-,11+/m1/s1.
What are the key properties of (1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol?
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol has a molecular weight of 211.69 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol is sourced from PubChem (CID 130803068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).