2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine

C10H11F4NO — CID 135380865

IUPAC2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1cc(C(F)(F)F)cc(F)c1CCN
InChIInChI=1S/C10H11F4NO/c1-16-9-5-6(10(12,13)14)4-8(11)7(9)2-3-15/h4-5H,2-3,15H2,1H3
InChIKeyUJWUOHDTZMZEHM-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.35
Rot. Bonds3

About 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine

2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 135380865) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine
PubChem CID135380865
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1cc(C(F)(F)F)cc(F)c1CCN
InChIInChI=1S/C10H11F4NO/c1-16-9-5-6(10(12,13)14)4-8(11)7(9)2-3-15/h4-5H,2-3,15H2,1H3
InChIKeyUJWUOHDTZMZEHM-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163
N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine
CID 84807567
O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117427096
2-methoxy-6-methyl-4-(trifluoromethyl)aniline
CID 131484039
3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol
CID 117414325
2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine
CID 117309017
1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one
CID 84803557
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664
O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine
CID 117291281
1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]butan-2-amine;hydrochloride
CID 170889521
1-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117499022
2-(chloromethyl)-3-methoxy-5-(trifluoromethyl)benzonitrile
CID 171024120

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine (CID 135380865) is 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine is COc1cc(C(F)(F)F)cc(F)c1CCN.
What is the InChIKey of 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is UJWUOHDTZMZEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO/c1-16-9-5-6(10(12,13)14)4-8(11)7(9)2-3-15/h4-5H,2-3,15H2,1H3.
What are the key properties of 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine?
2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 237.20 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 135380865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).