(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol

C14H19Cl2NO — CID 171160225

IUPAC(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol
SMILESN[C@H](c1cc(Cl)cc(Cl)c1)[C@@H](O)C1CCCCC1
InChIInChI=1S/C14H19Cl2NO/c15-11-6-10(7-12(16)8-11)13(17)14(18)9-4-2-1-3-5-9/h6-9,13-14,18H,1-5,17H2/t13-,14+/m1/s1
InChIKeyMHYCSRBEAZYVMH-KGLIPLIRSA-N
MW288.22 g/mol
LogP3.93
Rot. Bonds3

About (1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol

(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol (PubChem CID 171160225) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol
PubChem CID171160225
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol
SMILESN[C@H](c1cc(Cl)cc(Cl)c1)[C@@H](O)C1CCCCC1
InChIInChI=1S/C14H19Cl2NO/c15-11-6-10(7-12(16)8-11)13(17)14(18)9-4-2-1-3-5-9/h6-9,13-14,18H,1-5,17H2/t13-,14+/m1/s1
InChIKeyMHYCSRBEAZYVMH-KGLIPLIRSA-N
XLogP3.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol;hydrochloride
CID 171160226
(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol
CID 171162235
cyclohexyl-(3,5-dichlorophenyl)methanamine
CID 114981427
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
(1S,2R)-2-amino-2-(4-chloro-2,6-difluorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171264372
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol
CID 171261781
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-4,6-dichlorophenol
CID 171162019
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-dimethylphenol;hydrochloride
CID 171262445
(1R,2S)-2-amino-1-cyclopentyl-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 171162489
(1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol
CID 171162272
(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

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol?
The IUPAC name of (1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol (CID 171160225) is (1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol?
The canonical SMILES for (1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol is N[C@H](c1cc(Cl)cc(Cl)c1)[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol?
The InChIKey is MHYCSRBEAZYVMH-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c15-11-6-10(7-12(16)8-11)13(17)14(18)9-4-2-1-3-5-9/h6-9,13-14,18H,1-5,17H2/t13-,14+/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol?
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol has a molecular weight of 288.22 g/mol, XLogP of 3.93, 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-cyclohexyl-2-(3,5-dichlorophenyl)ethanol is sourced from PubChem (CID 171160225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).