(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol

C14H19BrFNO — CID 171268000

IUPAC(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol
SMILESN[C@@H](c1cccc(F)c1Br)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H19BrFNO/c15-12-10(7-4-8-11(12)16)13(17)14(18)9-5-2-1-3-6-9/h4,7-9,13-14,18H,1-3,5-6,17H2/t13-,14+/m0/s1
InChIKeyZZAQMUDEQNDBQG-UONOGXRCSA-N
MW316.21 g/mol
LogP3.53
Rot. Bonds3

About (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol

(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol (PubChem CID 171268000) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol
PubChem CID171268000
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol
SMILESN[C@@H](c1cccc(F)c1Br)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H19BrFNO/c15-12-10(7-4-8-11(12)16)13(17)14(18)9-5-2-1-3-6-9/h4,7-9,13-14,18H,1-3,5-6,17H2/t13-,14+/m0/s1
InChIKeyZZAQMUDEQNDBQG-UONOGXRCSA-N
XLogP3.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol
CID 171267994
(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 112631047
(R)-(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 131483839
2-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-6-fluorophenol
CID 171260974
(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171261508
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-6-bromophenol;hydrochloride
CID 171267568
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 171268315
(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride
CID 171267992
(1R,2S)-2-amino-1-cyclopropyl-2-(3-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267747
(1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171247886
[(2-bromo-3-fluorophenyl)-cyclobutylmethyl]hydrazine
CID 105340099
(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261670

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol?
The IUPAC name of (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol (CID 171268000) is (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol.
What is the SMILES notation for (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol?
The canonical SMILES for (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol is N[C@@H](c1cccc(F)c1Br)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol?
The InChIKey is ZZAQMUDEQNDBQG-UONOGXRCSA-N. The full InChI is InChI=1S/C14H19BrFNO/c15-12-10(7-4-8-11(12)16)13(17)14(18)9-5-2-1-3-6-9/h4,7-9,13-14,18H,1-3,5-6,17H2/t13-,14+/m0/s1.
What are the key properties of (1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol?
(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol has a molecular weight of 316.21 g/mol, XLogP of 3.53, 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-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol is sourced from PubChem (CID 171268000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).