2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol

C10H11BrF3NO2 — CID 117499005

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

About 2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol

2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol (PubChem CID 117499005) has the molecular formula C10H11BrF3NO2 and a molecular weight of 314.10 g/mol. Its IUPAC name is 2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
PubChem CID117499005
Molecular FormulaC10H11BrF3NO2
Molecular Weight314.10 g/mol
Exact Mass312.99
IUPAC Name2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
SMILESCOc1c(C(O)CN)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H11BrF3NO2/c1-17-9-6(8(16)4-15)2-5(11)3-7(9)10(12,13)14/h2-3,8,16H,4,15H2,1H3
InChIKeyHMQJMHLEDIHDJN-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-amino-1-(5-bromo-2-methoxy-3,4-dimethylphenyl)ethanol
CID 83904205
5-bromo-1-(bromomethyl)-2-methoxy-3-(trifluoromethyl)benzene
CID 130153862
2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
CID 117481446
2-[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117496682
2-amino-1-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethanol
CID 117406771
6-(2-amino-1-hydroxyethyl)-4-bromo-2-methoxy-3-methylphenol
CID 84714365
2-amino-1-(5-bromo-2-ethyl-3,4-dimethoxyphenyl)ethanol
CID 117489356
1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 117494647
1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117499020
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 84707984
2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 84707099

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol (CID 117499005) is 2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol is COc1c(C(O)CN)cc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is HMQJMHLEDIHDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO2/c1-17-9-6(8(16)4-15)2-5(11)3-7(9)10(12,13)14/h2-3,8,16H,4,15H2,1H3.
What are the key properties of 2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol?
2-amino-1-[5-bromo-2-methoxy-3-(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-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 117499005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).