2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride

C10H13ClF3N — CID 19704221

IUPAC2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCc1c(CCN)cccc1C(F)(F)F.Cl
InChIInChI=1S/C10H12F3N.ClH/c1-7-8(5-6-14)3-2-4-9(7)10(11,12)13;/h2-4H,5-6,14H2,1H3;1H
InChIKeyDMQLOUMBQJLAKB-UHFFFAOYSA-N
MW239.67 g/mol
LogP2.94
Rot. Bonds2

About 2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride

2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride (PubChem CID 19704221) has the molecular formula C10H13ClF3N and a molecular weight of 239.67 g/mol. Its IUPAC name is 2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
PubChem CID19704221
Molecular FormulaC10H13ClF3N
Molecular Weight239.67 g/mol
Exact Mass239.07
IUPAC Name2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
SMILESCc1c(CCN)cccc1C(F)(F)F.Cl
InChIInChI=1S/C10H12F3N.ClH/c1-7-8(5-6-14)3-2-4-9(7)10(11,12)13;/h2-4H,5-6,14H2,1H3;1H
InChIKeyDMQLOUMBQJLAKB-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene
CID 129042451
N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
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2-(2-aminoethyl)-6-(1,1-difluoroethyl)phenol
CID 84670019
2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine
CID 83919995
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533
2-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 84674830
2-(3-aminopropyl)-3-(trifluoromethyl)phenol
CID 117311849
[2-methyl-3-(trifluoromethyl)phenyl]hydrazine;hydrochloride
CID 84820116
[2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 70700248
[3-(2-aminoethyl)-2-methylphenyl]-fluoromethanethiol
CID 142641028
2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine
CID 117197355
[2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine
CID 154810032

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride (CID 19704221) is 2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride is Cc1c(CCN)cccc1C(F)(F)F.Cl.
What is the InChIKey of 2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
The InChIKey is DMQLOUMBQJLAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N.ClH/c1-7-8(5-6-14)3-2-4-9(7)10(11,12)13;/h2-4H,5-6,14H2,1H3;1H.
What are the key properties of 2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride?
2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride has a molecular weight of 239.67 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 19704221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).