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

C9H10F3N — CID 2064101

IUPACN-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNCc1ccccc1C(F)(F)F
InChIInChI=1S/C9H10F3N/c1-13-6-7-4-2-3-5-8(7)9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyGKOKBYDWCYRBGB-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.42
Rot. Bonds2

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

N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 2064101) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID2064101
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC NameN-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNCc1ccccc1C(F)(F)F
InChIInChI=1S/C9H10F3N/c1-13-6-7-4-2-3-5-8(7)9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyGKOKBYDWCYRBGB-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (CID 2064101) is N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is CNCc1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is GKOKBYDWCYRBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-13-6-7-4-2-3-5-8(7)9(10,11)12/h2-5,13H,6H2,1H3.
What are the key properties of N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 189.18 g/mol, XLogP of 2.42, 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-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 2064101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).