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

C9H10F3NO — CID 16774207

IUPACN-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-13-6-7-4-2-3-5-8(7)14-9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyVAWOGSOUTCITNL-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.30
Rot. Bonds3

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

N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 16774207) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID16774207
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC NameN-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-13-6-7-4-2-3-5-8(7)14-9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyVAWOGSOUTCITNL-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[2-(trifluoromethoxy)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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine (CID 16774207) is N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine is CNCc1ccccc1OC(F)(F)F.
What is the InChIKey of N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is VAWOGSOUTCITNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-13-6-7-4-2-3-5-8(7)14-9(10,11)12/h2-5,13H,6H2,1H3.
What are the key properties of N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine?
N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 205.18 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 16774207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).