(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride

C15H22ClF2NO — CID 171269778

IUPAC(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
SMILESCc1ccc(F)c([C@H](N)[C@H](O)C2CCCCC2)c1F.Cl
InChIInChI=1S/C15H21F2NO.ClH/c1-9-7-8-11(16)12(13(9)17)14(18)15(19)10-5-3-2-4-6-10;/h7-8,10,14-15,19H,2-6,18H2,1H3;1H/t14-,15+;/m0./s1
InChIKeyJYDKJTMOFVRNRP-LDXVYITESA-N
MW305.80 g/mol
LogP3.64
Rot. Bonds3

About (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride

(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride (PubChem CID 171269778) has the molecular formula C15H22ClF2NO and a molecular weight of 305.80 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
PubChem CID171269778
Molecular FormulaC15H22ClF2NO
Molecular Weight305.80 g/mol
Exact Mass305.14
IUPAC Name(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
SMILESCc1ccc(F)c([C@H](N)[C@H](O)C2CCCCC2)c1F.Cl
InChIInChI=1S/C15H21F2NO.ClH/c1-9-7-8-11(16)12(13(9)17)14(18)15(19)10-5-3-2-4-6-10;/h7-8,10,14-15,19H,2-6,18H2,1H3;1H/t14-,15+;/m0./s1
InChIKeyJYDKJTMOFVRNRP-LDXVYITESA-N
XLogP3.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-1-cyclopentyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171264100
(1S,2R)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171264050
(1R,2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)-1-cyclobutylethanol;hydrochloride
CID 171269724
(1S,2R)-2-amino-2-(2-chloro-3,6-difluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171263957
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethylphenyl)ethanol;hydrochloride
CID 171267921
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 130707474
(R)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 55253707
2-[(S)-amino(cyclohexyl)methyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253546
2-cyclohexyl-1-(2,6-difluoro-3-methylphenyl)-2-methoxyethanol
CID 116756278
1-[(R)-cyclohexyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171293020
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397
(1S,2R)-2-amino-2-(4-chloro-2,6-difluorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171264372

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride?
The IUPAC name of (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride (CID 171269778) is (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride?
The canonical SMILES for (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride is Cc1ccc(F)c([C@H](N)[C@H](O)C2CCCCC2)c1F.Cl.
What is the InChIKey of (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride?
The InChIKey is JYDKJTMOFVRNRP-LDXVYITESA-N. The full InChI is InChI=1S/C15H21F2NO.ClH/c1-9-7-8-11(16)12(13(9)17)14(18)15(19)10-5-3-2-4-6-10;/h7-8,10,14-15,19H,2-6,18H2,1H3;1H/t14-,15+;/m0./s1.
What are the key properties of (1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride?
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride has a molecular weight of 305.80 g/mol, XLogP of 3.64, 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-1-cyclohexyl-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171269778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).