(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol

C14H19BrFNO — CID 171267777

IUPAC(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol
SMILESN[C@@H](c1cc(F)cc(Br)c1)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H19BrFNO/c15-11-6-10(7-12(16)8-11)13(17)14(18)9-4-2-1-3-5-9/h6-9,13-14,18H,1-5,17H2/t13-,14+/m0/s1
InChIKeyFGWIPNGDYYBCBI-UONOGXRCSA-N
MW316.21 g/mol
LogP3.53
Rot. Bonds3

About (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol

(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol (PubChem CID 171267777) has the molecular formula C14H19BrFNO and a molecular weight of 316.21 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol
PubChem CID171267777
Molecular FormulaC14H19BrFNO
Molecular Weight316.21 g/mol
Exact Mass315.06
IUPAC Name(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol
SMILESN[C@@H](c1cc(F)cc(Br)c1)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H19BrFNO/c15-11-6-10(7-12(16)8-11)13(17)14(18)9-4-2-1-3-5-9/h6-9,13-14,18H,1-5,17H2/t13-,14+/m0/s1
InChIKeyFGWIPNGDYYBCBI-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-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol
CID 171267775
(3-bromo-5-fluorophenyl)-cyclohexylmethanol
CID 66425421
(1R,2S)-2-amino-1-cyclohexyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171268935
(1S,2R)-2-amino-2-(4-bromo-3-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261536
(1S,2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171262994
[(3-bromo-5-fluorophenyl)-cyclopentylmethyl]hydrazine
CID 105238562
(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
CID 130982390
(1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol
CID 171268665
1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 66424249
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol
CID 171160225
(1R,2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)-1-cyclohexylethanol
CID 171267437
(1S,2R)-2-amino-1-cyclohexyl-2-(3,5-dichlorophenyl)ethanol;hydrochloride
CID 171160226

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol?
The IUPAC name of (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol (CID 171267777) is (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol.
What is the SMILES notation for (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol?
The canonical SMILES for (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol is N[C@@H](c1cc(F)cc(Br)c1)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol?
The InChIKey is FGWIPNGDYYBCBI-UONOGXRCSA-N. The full InChI is InChI=1S/C14H19BrFNO/c15-11-6-10(7-12(16)8-11)13(17)14(18)9-4-2-1-3-5-9/h6-9,13-14,18H,1-5,17H2/t13-,14+/m0/s1.
What are the key properties of (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol?
(1R,2S)-2-amino-2-(3-bromo-5-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-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol is sourced from PubChem (CID 171267777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).