N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine

C10H12F3N — CID 155749063

IUPACN-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
SMILESCNCc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C10H12F3N/c1-7-8(6-14-2)4-3-5-9(7)10(11,12)13/h3-5,14H,6H2,1-2H3
InChIKeyAIDLHKBTDPBYJU-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.73
Rot. Bonds2

About N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine

N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 155749063) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
PubChem CID155749063
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC NameN-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
SMILESCNCc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C10H12F3N/c1-7-8(6-14-2)4-3-5-9(7)10(11,12)13/h3-5,14H,6H2,1-2H3
InChIKeyAIDLHKBTDPBYJU-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene
CID 129042451
2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 19704221
N-methyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 43282524
N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine
CID 62449458
N-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169474051
1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82678213
N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 82608402
4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3,5-diamine
CID 71271222
N-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine
CID 117194709
N-methyl-4-[2-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170496226
1-[difluoro(iodo)methyl]-2-methyl-3-(trifluoromethyl)benzene
CID 129042574

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine (CID 155749063) is N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine is CNCc1cccc(C(F)(F)F)c1C.
What is the InChIKey of N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is AIDLHKBTDPBYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7-8(6-14-2)4-3-5-9(7)10(11,12)13/h3-5,14H,6H2,1-2H3.
What are the key properties of N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine?
N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 203.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 155749063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).