(1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol

C14H19ClFNO — CID 171161318

IUPAC(1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol
SMILESN[C@@H](c1ccc(Cl)c(F)c1)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H19ClFNO/c15-11-7-6-10(8-12(11)16)13(17)14(18)9-4-2-1-3-5-9/h6-9,13-14,18H,1-5,17H2/t13-,14+/m0/s1
InChIKeyJTUFDXQVFKNWHN-UONOGXRCSA-N
MW271.76 g/mol
LogP3.42
Rot. Bonds3

About (1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol

(1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol (PubChem CID 171161318) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol
PubChem CID171161318
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name(1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol
SMILESN[C@@H](c1ccc(Cl)c(F)c1)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H19ClFNO/c15-11-7-6-10(8-12(11)16)13(17)14(18)9-4-2-1-3-5-9/h6-9,13-14,18H,1-5,17H2/t13-,14+/m0/s1
InChIKeyJTUFDXQVFKNWHN-UONOGXRCSA-N
XLogP3.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol 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

(1R,2S)-2-amino-1-cyclopentyl-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 171162489
(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol
CID 171267801
(1S,2R)-2-amino-2-(4-bromo-3-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261536
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol
CID 171261781
(1R,2S)-2-amino-2-(3-chloro-4-methylphenyl)-1-cyclohexylethanol
CID 171267974
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
(1R,2S)-2-amino-1-cyclopentyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161937
(R)-(4-chloro-3-fluorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171209453
(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol
CID 171162235
(1R,2S)-2-amino-2-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclobutylethanol
CID 171271379
(1S,2R)-2-amino-1-cyclobutyl-2-(4-fluoro-3-methylphenyl)ethanol
CID 171262203
(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261670

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol?
The IUPAC name of (1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol (CID 171161318) is (1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol.
What is the SMILES notation for (1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol?
The canonical SMILES for (1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol is N[C@@H](c1ccc(Cl)c(F)c1)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol?
The InChIKey is JTUFDXQVFKNWHN-UONOGXRCSA-N. The full InChI is InChI=1S/C14H19ClFNO/c15-11-7-6-10(8-12(11)16)13(17)14(18)9-4-2-1-3-5-9/h6-9,13-14,18H,1-5,17H2/t13-,14+/m0/s1.
What are the key properties of (1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol?
(1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol has a molecular weight of 271.76 g/mol, XLogP of 3.42, 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-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol is sourced from PubChem (CID 171161318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).