(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol

C14H20ClNO — CID 171162235

IUPAC(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol
SMILESN[C@@H](c1cccc(Cl)c1)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H20ClNO/c15-12-8-4-7-11(9-12)13(16)14(17)10-5-2-1-3-6-10/h4,7-10,13-14,17H,1-3,5-6,16H2/t13-,14+/m0/s1
InChIKeyGGWDJEMSOWLMNN-UONOGXRCSA-N
MW253.77 g/mol
LogP3.28
Rot. Bonds3

About (1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol

(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol (PubChem CID 171162235) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol
PubChem CID171162235
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol
SMILESN[C@@H](c1cccc(Cl)c1)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H20ClNO/c15-12-8-4-7-11(9-12)13(16)14(17)10-5-2-1-3-6-10/h4,7-10,13-14,17H,1-3,5-6,16H2/t13-,14+/m0/s1
InChIKeyGGWDJEMSOWLMNN-UONOGXRCSA-N
XLogP3.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol
CID 103459098
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol
CID 171160225
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol;hydrochloride
CID 171160226
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol
CID 171261781
1-(3-chlorophenyl)-2-cyclopropylethane-1,2-diamine
CID 130854534
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
(1R,2S)-2-amino-1-cyclopentyl-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 171162489
(1R,2S)-2-amino-2-(3-chloro-4-methylphenyl)-1-cyclohexylethanol
CID 171267974
(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol
CID 171267801
(1R,2S)-2-amino-2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanol
CID 171161318
(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol
CID 171161275
(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-(3-chlorophenyl)-1-cyclohexylethanol?
The IUPAC name of (1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol (CID 171162235) is (1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol.
What is the SMILES notation for (1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol?
The canonical SMILES for (1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol is N[C@@H](c1cccc(Cl)c1)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol?
The InChIKey is GGWDJEMSOWLMNN-UONOGXRCSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-12-8-4-7-11(9-12)13(16)14(17)10-5-2-1-3-6-10/h4,7-10,13-14,17H,1-3,5-6,16H2/t13-,14+/m0/s1.
What are the key properties of (1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol?
(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol has a molecular weight of 253.77 g/mol, XLogP of 3.28, 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-chlorophenyl)-1-cyclohexylethanol is sourced from PubChem (CID 171162235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).