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

C11H14Cl2FNO — CID 171161264

IUPAC(1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride
SMILESCl.N[C@@H](c1cccc(Cl)c1F)[C@H](O)C1CC1
InChIInChI=1S/C11H13ClFNO.ClH/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;1H/t10-,11+;/m0./s1
InChIKeyIKCAGAXFEVJEMH-VZXYPILPSA-N
MW266.14 g/mol
LogP2.67
Rot. Bonds3

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

(1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride (PubChem CID 171161264) has the molecular formula C11H14Cl2FNO and a molecular weight of 266.14 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride
PubChem CID171161264
Molecular FormulaC11H14Cl2FNO
Molecular Weight266.14 g/mol
Exact Mass265.04
IUPAC Name(1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride
SMILESCl.N[C@@H](c1cccc(Cl)c1F)[C@H](O)C1CC1
InChIInChI=1S/C11H13ClFNO.ClH/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;1H/t10-,11+;/m0./s1
InChIKeyIKCAGAXFEVJEMH-VZXYPILPSA-N
XLogP2.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol
CID 171161214
(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171209319
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride
CID 171268087
(1R,2S)-2-amino-1-cyclopropyl-2-(3-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267747
2-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-chlorophenol
CID 171268082
(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol
CID 171267994
(1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol
CID 171161359
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171249497
(1R)-1-(3-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313800
(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol
CID 64713264
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131479406
(R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314499

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride?
The IUPAC name of (1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride (CID 171161264) is (1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride.
What is the SMILES notation for (1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride?
The canonical SMILES for (1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride is Cl.N[C@@H](c1cccc(Cl)c1F)[C@H](O)C1CC1.
What is the InChIKey of (1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride?
The InChIKey is IKCAGAXFEVJEMH-VZXYPILPSA-N. The full InChI is InChI=1S/C11H13ClFNO.ClH/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;1H/t10-,11+;/m0./s1.
What are the key properties of (1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride?
(1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride has a molecular weight of 266.14 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride is sourced from PubChem (CID 171161264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).