1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine

C10H12F3NO — CID 84684450

IUPAC1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1cccc(C(F)(F)F)c1C(C)N
InChIInChI=1S/C10H12F3NO/c1-6(14)9-7(10(11,12)13)4-3-5-8(9)15-2/h3-6H,14H2,1-2H3
InChIKeyAWJRCASQSVNDQO-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.73
Rot. Bonds2

About 1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine

1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine (PubChem CID 84684450) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine
PubChem CID84684450
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1cccc(C(F)(F)F)c1C(C)N
InChIInChI=1S/C10H12F3NO/c1-6(14)9-7(10(11,12)13)4-3-5-8(9)15-2/h3-6H,14H2,1-2H3
InChIKeyAWJRCASQSVNDQO-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-methoxy-6-(trifluoromethyl)phenyl]butan-1-amine
CID 117370072
1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84706950
1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine
CID 84671370
(1S)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171234263
(1R,2S)-1-amino-1-(2,6-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171261396
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
2-methoxy-6-(trifluoromethyl)benzenethiol
CID 18417566
2-amino-2-[2-(1,1-difluoroethyl)-6-methoxyphenyl]acetic acid
CID 84704990
(1S)-1-[2-methoxy-6-(3-methoxy-3-methylbutoxy)phenyl]ethanamine
CID 106665907
(1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 171201179
(1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 131503753

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine (CID 84684450) is 1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine is COc1cccc(C(F)(F)F)c1C(C)N.
What is the InChIKey of 1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is AWJRCASQSVNDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6(14)9-7(10(11,12)13)4-3-5-8(9)15-2/h3-6H,14H2,1-2H3.
What are the key properties of 1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine?
1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 84684450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).