N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen

C9H12F3N — CID 145483676

IUPACN-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
SMILESCNCc1cccc(C(F)(F)F)c1.[H][H]
InChIInChI=1S/C9H10F3N.H2/c1-13-6-7-3-2-4-8(5-7)9(10,11)12;/h2-5,13H,6H2,1H3;1H
InChIKeyYLQLSAIBRDULNV-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.67
Rot. Bonds2

About N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen

N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen (PubChem CID 145483676) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
PubChem CID145483676
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC NameN-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
SMILESCNCc1cccc(C(F)(F)F)c1.[H][H]
InChIInChI=1S/C9H10F3N.H2/c1-13-6-7-3-2-4-8(5-7)9(10,11)12;/h2-5,13H,6H2,1H3;1H
InChIKeyYLQLSAIBRDULNV-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen 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-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 82714881
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;1-pyrrolidin-1-ylprop-2-en-1-one
CID 164596008
N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine
CID 22356645
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine
CID 62585929
2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanenitrile
CID 43242659
N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62338555
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine
CID 79782023
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine
CID 55109247

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen (CID 145483676) is N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen is CNCc1cccc(C(F)(F)F)c1.[H][H].
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen?
The InChIKey is YLQLSAIBRDULNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N.H2/c1-13-6-7-3-2-4-8(5-7)9(10,11)12;/h2-5,13H,6H2,1H3;1H.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen?
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen has a molecular weight of 191.20 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen is sourced from PubChem (CID 145483676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).