(1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol

C11H13Cl2NO — CID 171161214

IUPAC(1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol
SMILESN[C@H](c1cccc(Cl)c1Cl)[C@@H](O)C1CC1
InChIInChI=1S/C11H13Cl2NO/c12-8-3-1-2-7(9(8)13)10(14)11(15)6-4-5-6/h1-3,6,10-11,15H,4-5,14H2/t10-,11+/m1/s1
InChIKeyYKMOFEHPQRODBZ-MNOVXSKESA-N
MW246.14 g/mol
LogP2.76
Rot. Bonds3

About (1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol

(1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol (PubChem CID 171161214) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol
PubChem CID171161214
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name(1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol
SMILESN[C@H](c1cccc(Cl)c1Cl)[C@@H](O)C1CC1
InChIInChI=1S/C11H13Cl2NO/c12-8-3-1-2-7(9(8)13)10(14)11(15)6-4-5-6/h1-3,6,10-11,15H,4-5,14H2/t10-,11+/m1/s1
InChIKeyYKMOFEHPQRODBZ-MNOVXSKESA-N
XLogP2.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171161264
cyclopropyl-(2,3-dichlorophenyl)methanamine
CID 62789310
2-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-chlorophenol
CID 171268082
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride
CID 171268087
cyclobutyl-(2,3-dichlorophenyl)methanol
CID 64986948
(1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 171162059
(1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride
CID 171263981
(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine
CID 130971374
2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol
CID 171270321
(2,3-dichlorophenyl)methanediamine
CID 139660481
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol
CID 130803068
(2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105093185

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol?
The IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol (CID 171161214) is (1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol is N[C@H](c1cccc(Cl)c1Cl)[C@@H](O)C1CC1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol?
The InChIKey is YKMOFEHPQRODBZ-MNOVXSKESA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-8-3-1-2-7(9(8)13)10(14)11(15)6-4-5-6/h1-3,6,10-11,15H,4-5,14H2/t10-,11+/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol?
(1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol has a molecular weight of 246.14 g/mol, XLogP of 2.76, 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-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol is sourced from PubChem (CID 171161214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).