2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride

C14H21Cl2NO2 — CID 171268087

IUPAC2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride
SMILESCl.N[C@@H](c1cccc(Cl)c1O)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H20ClNO2.ClH/c15-11-8-4-7-10(14(11)18)12(16)13(17)9-5-2-1-3-6-9;/h4,7-9,12-13,17-18H,1-3,5-6,16H2;1H/t12-,13+;/m0./s1
InChIKeyUUDKWJGUCLKRGI-JHEYCYPBSA-N
MW306.23 g/mol
LogP3.41
Rot. Bonds3

About 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride

2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride (PubChem CID 171268087) has the molecular formula C14H21Cl2NO2 and a molecular weight of 306.23 g/mol. Its IUPAC name is 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride
PubChem CID171268087
Molecular FormulaC14H21Cl2NO2
Molecular Weight306.23 g/mol
Exact Mass305.09
IUPAC Name2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride
SMILESCl.N[C@@H](c1cccc(Cl)c1O)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H20ClNO2.ClH/c15-11-8-4-7-10(14(11)18)12(16)13(17)9-5-2-1-3-6-9;/h4,7-9,12-13,17-18H,1-3,5-6,16H2;1H/t12-,13+;/m0./s1
InChIKeyUUDKWJGUCLKRGI-JHEYCYPBSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-chlorophenol
CID 171268082
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride
CID 171264654
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-6-bromophenol;hydrochloride
CID 171267568
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-4,6-dichlorophenol
CID 171162019
(1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol
CID 171161214
2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol
CID 171260974
(1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171161264
(1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171161458
(1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 171162059
(1R,2S)-2-amino-1-cyclohexyl-2-(2,3,6-trichlorophenyl)ethanol;hydrochloride
CID 171270446
(1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol
CID 171160024
(1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride
CID 171263981

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride?
The IUPAC name of 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride (CID 171268087) is 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride.
What is the SMILES notation for 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride?
The canonical SMILES for 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride is Cl.N[C@@H](c1cccc(Cl)c1O)[C@H](O)C1CCCCC1.
What is the InChIKey of 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride?
The InChIKey is UUDKWJGUCLKRGI-JHEYCYPBSA-N. The full InChI is InChI=1S/C14H20ClNO2.ClH/c15-11-8-4-7-10(14(11)18)12(16)13(17)9-5-2-1-3-6-9;/h4,7-9,12-13,17-18H,1-3,5-6,16H2;1H/t12-,13+;/m0./s1.
What are the key properties of 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride?
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride has a molecular weight of 306.23 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride is sourced from PubChem (CID 171268087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).