N-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]methanamine

C10H12F3N — CID 20709349

IUPACN-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]methanamine
SMILESCNCc1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C10H12F3N/c1-7-3-4-8(6-14-2)9(5-7)10(11,12)13/h3-5,14H,6H2,1-2H3
InChIKeyCJOYKYZBRKXRPS-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.73
Rot. Bonds2

About N-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]methanamine

N-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 20709349) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]methanamine
PubChem CID20709349
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC NameN-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]methanamine
SMILESCNCc1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C10H12F3N/c1-7-3-4-8(6-14-2)9(5-7)10(11,12)13/h3-5,14H,6H2,1-2H3
InChIKeyCJOYKYZBRKXRPS-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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]methanamine (CID 20709349) is N-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]methanamine is CNCc1ccc(C)cc1C(F)(F)F.
What is the InChIKey of N-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is CJOYKYZBRKXRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7-3-4-8(6-14-2)9(5-7)10(11,12)13/h3-5,14H,6H2,1-2H3.
What are the key properties of N-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]methanamine?
N-methyl-1-[4-methyl-2-(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-[4-methyl-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 20709349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).