N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine

C10H12F3N — CID 82608402

IUPACN-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine
SMILESCNCc1ccccc1CC(F)(F)F
InChIInChI=1S/C10H12F3N/c1-14-7-9-5-3-2-4-8(9)6-10(11,12)13/h2-5,14H,6-7H2,1H3
InChIKeyNZUDOKLSRSAITR-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.51
Rot. Bonds3

About N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine

N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine (PubChem CID 82608402) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine
PubChem CID82608402
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC NameN-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine
SMILESCNCc1ccccc1CC(F)(F)F
InChIInChI=1S/C10H12F3N/c1-14-7-9-5-3-2-4-8(9)6-10(11,12)13/h2-5,14H,6-7H2,1H3
InChIKeyNZUDOKLSRSAITR-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84726410
N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine
CID 62449458
1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84724008
2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine
CID 104546912
N-methyl-2-(methylaminomethyl)aniline
CID 576504
N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
CID 155749063
2-[2-(methylaminomethyl)phenyl]acetaldehyde
CID 54060686
4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride
CID 119437962
2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008622
N-methyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 43282524
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine (CID 82608402) is N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine is CNCc1ccccc1CC(F)(F)F.
What is the InChIKey of N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine?
The InChIKey is NZUDOKLSRSAITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-14-7-9-5-3-2-4-8(9)6-10(11,12)13/h2-5,14H,6-7H2,1H3.
What are the key properties of N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine?
N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine has a molecular weight of 203.21 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine is sourced from PubChem (CID 82608402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).