(1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride

C15H22ClF2NO2 — CID 171268471

IUPAC(1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride
SMILESCl.N[C@@H](c1ccc(OC(F)F)cc1)[C@H](O)C1CCCCC1
InChIInChI=1S/C15H21F2NO2.ClH/c16-15(17)20-12-8-6-10(7-9-12)13(18)14(19)11-4-2-1-3-5-11;/h6-9,11,13-15,19H,1-5,18H2;1H/t13-,14+;/m0./s1
InChIKeyRCMNRXFEAHESKR-LMRHVHIWSA-N
MW321.80 g/mol
LogP3.65
Rot. Bonds5

About (1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride

(1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride (PubChem CID 171268471) has the molecular formula C15H22ClF2NO2 and a molecular weight of 321.80 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride
PubChem CID171268471
Molecular FormulaC15H22ClF2NO2
Molecular Weight321.80 g/mol
Exact Mass321.13
IUPAC Name(1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride
SMILESCl.N[C@@H](c1ccc(OC(F)F)cc1)[C@H](O)C1CCCCC1
InChIInChI=1S/C15H21F2NO2.ClH/c16-15(17)20-12-8-6-10(7-9-12)13(18)14(19)11-4-2-1-3-5-11;/h6-9,11,13-15,19H,1-5,18H2;1H/t13-,14+;/m0./s1
InChIKeyRCMNRXFEAHESKR-LMRHVHIWSA-N
XLogP3.65
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-amino-1-cyclohexyl-2-(4-methoxyphenyl)ethanol;hydrochloride
CID 171160552
(1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171262769
(1S,2R)-2-amino-1-cyclohexyl-2-(4-trimethylsilyloxyphenyl)ethanol;hydrochloride
CID 171263207
(1R,2S)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride
CID 171269374
(1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride
CID 171263701
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
CID 171264329
2-cyclohexyl-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65145450
(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
CID 146913887
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 171160385
(1R,2S)-2-amino-1-cyclopropyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268438
2-cyclopentyl-1-[4-(difluoromethoxy)phenyl]ethanol
CID 65150469

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride?
The IUPAC name of (1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride (CID 171268471) is (1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride?
The canonical SMILES for (1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride is Cl.N[C@@H](c1ccc(OC(F)F)cc1)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride?
The InChIKey is RCMNRXFEAHESKR-LMRHVHIWSA-N. The full InChI is InChI=1S/C15H21F2NO2.ClH/c16-15(17)20-12-8-6-10(7-9-12)13(18)14(19)11-4-2-1-3-5-11;/h6-9,11,13-15,19H,1-5,18H2;1H/t13-,14+;/m0./s1.
What are the key properties of (1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride?
(1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride has a molecular weight of 321.80 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-cyclohexyl-2-[4-(difluoromethoxy)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 171268471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).