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

C10H12F3N — CID 84671370

IUPAC1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cccc(C(F)(F)F)c1C(C)N
InChIInChI=1S/C10H12F3N/c1-6-4-3-5-8(10(11,12)13)9(6)7(2)14/h3-5,7H,14H2,1-2H3
InChIKeyGYAXMSWGXFILBN-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.03
Rot. Bonds1

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

1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine (PubChem CID 84671370) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine
PubChem CID84671370
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cccc(C(F)(F)F)c1C(C)N
InChIInChI=1S/C10H12F3N/c1-6-4-3-5-8(10(11,12)13)9(6)7(2)14/h3-5,7H,14H2,1-2H3
InChIKeyGYAXMSWGXFILBN-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84684450
3-[2-methyl-6-(trifluoromethyl)phenyl]butanal
CID 117332264
1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 139965920
3-amino-2-[2-methyl-6-(trifluoromethyl)phenyl]propanoic acid
CID 84706093
2-butan-2-yl-1,3-bis(trifluoromethyl)benzene
CID 20823616
(1S)-1-(2,6-dimethylphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311616
1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine
CID 78001930
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171227323
2-methyl-6-(trifluoromethyl)phenol
CID 14672062
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol
CID 66515831
(1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 131585699

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine (CID 84671370) is 1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine is Cc1cccc(C(F)(F)F)c1C(C)N.
What is the InChIKey of 1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is GYAXMSWGXFILBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-6-4-3-5-8(10(11,12)13)9(6)7(2)14/h3-5,7H,14H2,1-2H3.
What are the key properties of 1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine?
1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 203.21 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 84671370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).