[2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine

C10H12F3N — CID 154810032

IUPAC[2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1c(CN)ccc(C(F)(F)F)c1C
InChIInChI=1S/C10H12F3N/c1-6-7(2)9(10(11,12)13)4-3-8(6)5-14/h3-4H,5,14H2,1-2H3
InChIKeyLSFHVYHQYSGSFJ-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.78
Rot. Bonds1

About [2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine

[2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 154810032) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is [2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID154810032
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name[2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1c(CN)ccc(C(F)(F)F)c1C
InChIInChI=1S/C10H12F3N/c1-6-7(2)9(10(11,12)13)4-3-8(6)5-14/h3-4H,5,14H2,1-2H3
InChIKeyLSFHVYHQYSGSFJ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-iodo-3,4-bis(trifluoromethyl)phenyl]methanamine
CID 134638419
[6-methyl-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105444009
2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 19704221
[4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 127262587
[4-(5-methylthiophen-2-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 172650610
N,2,3-trimethyl-4-(trifluoromethyl)aniline
CID 70839196
4-(aminomethyl)-N-ethyl-3-(trifluoromethyl)aniline
CID 62105465
2-(aminomethyl)-4-methyl-6-(trifluoromethyl)phenol
CID 21416993
1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene
CID 129042451
(3-chloro-4-fluoro-2-methylphenyl)methanamine
CID 84766568
2-chloro-3-methyl-4-(trifluoromethyl)aniline
CID 118991011
[2-bromo-3-nitro-4-(trifluoromethyl)phenyl]methanamine
CID 171011627

Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine (CID 154810032) is [2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine is Cc1c(CN)ccc(C(F)(F)F)c1C.
What is the InChIKey of [2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is LSFHVYHQYSGSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-6-7(2)9(10(11,12)13)4-3-8(6)5-14/h3-4H,5,14H2,1-2H3.
What are the key properties of [2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine?
[2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 203.21 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dimethyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 154810032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).