2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol

C10H11BrF3NO2 — CID 117499018

IUPAC2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol
SMILESCOc1c(Br)cc(C(F)(F)F)cc1C(N)CO
InChIInChI=1S/C10H11BrF3NO2/c1-17-9-6(8(15)4-16)2-5(3-7(9)11)10(12,13)14/h2-3,8,16H,4,15H2,1H3
InChIKeyDNYANRIUHRYOBW-UHFFFAOYSA-N
MW314.10 g/mol
LogP2.47
Rot. Bonds3

About 2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol

2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol (PubChem CID 117499018) has the molecular formula C10H11BrF3NO2 and a molecular weight of 314.10 g/mol. Its IUPAC name is 2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol
PubChem CID117499018
Molecular FormulaC10H11BrF3NO2
Molecular Weight314.10 g/mol
Exact Mass312.99
IUPAC Name2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol
SMILESCOc1c(Br)cc(C(F)(F)F)cc1C(N)CO
InChIInChI=1S/C10H11BrF3NO2/c1-17-9-6(8(15)4-16)2-5(3-7(9)11)10(12,13)14/h2-3,8,16H,4,15H2,1H3
InChIKeyDNYANRIUHRYOBW-UHFFFAOYSA-N
XLogP2.47
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.10
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-amino-2-hydroxyethyl)-6-bromo-4-(trifluoromethyl)phenol
CID 77130561
(2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171226794
(2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol
CID 66516252
1-bromo-2-methoxy-3-methylsulfanyl-5-(trifluoromethyl)benzene
CID 164895108
O-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117482825
(2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 66514208
2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-4-tert-butylphenol
CID 66515741
1-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 117478322
2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol
CID 84711161
3-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117496679
(2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171198902
(2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol
CID 66515645

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol (CID 117499018) is 2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol is COc1c(Br)cc(C(F)(F)F)cc1C(N)CO.
What is the InChIKey of 2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol?
The InChIKey is DNYANRIUHRYOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO2/c1-17-9-6(8(15)4-16)2-5(3-7(9)11)10(12,13)14/h2-3,8,16H,4,15H2,1H3.
What are the key properties of 2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol?
2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol has a molecular weight of 314.10 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 117499018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).