4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol

C14H20ClNO2 — CID 171261781

IUPAC4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol
SMILESN[C@H](c1ccc(O)c(Cl)c1)[C@@H](O)C1CCCCC1
InChIInChI=1S/C14H20ClNO2/c15-11-8-10(6-7-12(11)17)13(16)14(18)9-4-2-1-3-5-9/h6-9,13-14,17-18H,1-5,16H2/t13-,14+/m1/s1
InChIKeyNURRBMUHMRXXAK-KGLIPLIRSA-N
MW269.77 g/mol
LogP2.99
Rot. Bonds3

About 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol

4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol (PubChem CID 171261781) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol
PubChem CID171261781
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol
SMILESN[C@H](c1ccc(O)c(Cl)c1)[C@@H](O)C1CCCCC1
InChIInChI=1S/C14H20ClNO2/c15-11-8-10(6-7-12(11)17)13(16)14(18)9-4-2-1-3-5-9/h6-9,13-14,17-18H,1-5,16H2/t13-,14+/m1/s1
InChIKeyNURRBMUHMRXXAK-KGLIPLIRSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-amino-1-cyclopentyl-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 171162489
4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol
CID 171160646
(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-(3-chlorophenyl)-1-cyclohexylethanol
CID 171162235
(1R,2S)-2-amino-2-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclobutylethanol
CID 171271379
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol
CID 171160225
(1S,2R)-2-amino-2-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclobutylethanol;hydrochloride
CID 171265706
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol;hydrochloride
CID 171160226
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol
CID 131030201

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol?
The IUPAC name of 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol (CID 171261781) is 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol.
What is the SMILES notation for 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol?
The canonical SMILES for 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol is N[C@H](c1ccc(O)c(Cl)c1)[C@@H](O)C1CCCCC1.
What is the InChIKey of 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol?
The InChIKey is NURRBMUHMRXXAK-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H20ClNO2/c15-11-8-10(6-7-12(11)17)13(16)14(18)9-4-2-1-3-5-9/h6-9,13-14,17-18H,1-5,16H2/t13-,14+/m1/s1.
What are the key properties of 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol?
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol has a molecular weight of 269.77 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2-chlorophenol is sourced from PubChem (CID 171261781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).