N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine

C11H14F3NO — CID 63323237

IUPACN-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine
SMILESCNCc1cc(C)ccc1OCC(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-8-3-4-10(9(5-8)6-15-2)16-7-11(12,13)14/h3-5,15H,6-7H2,1-2H3
InChIKeyUVPASAKFLWHGGR-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.66
Rot. Bonds4

About N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine

N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine (PubChem CID 63323237) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine
PubChem CID63323237
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine
SMILESCNCc1cc(C)ccc1OCC(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-8-3-4-10(9(5-8)6-15-2)16-7-11(12,13)14/h3-5,15H,6-7H2,1-2H3
InChIKeyUVPASAKFLWHGGR-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)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

Related Compounds

N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 63323168
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
2-[4-methyl-2-(methylaminomethyl)phenoxy]acetamide
CID 63322657
N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
CID 63323494
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63322567
1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine
CID 63323622
1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 114930094
1-[5-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]-N-methylmethanamine
CID 107695379
N-[[5-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-2-amine
CID 106704675
1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63323232
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
ethane;1-fluoro-4-methyl-2-(2,2,2-trifluoroethoxy)benzene
CID 145227334

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine (CID 63323237) is N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine is CNCc1cc(C)ccc1OCC(F)(F)F.
What is the InChIKey of N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine?
The InChIKey is UVPASAKFLWHGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8-3-4-10(9(5-8)6-15-2)16-7-11(12,13)14/h3-5,15H,6-7H2,1-2H3.
What are the key properties of N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine?
N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine has a molecular weight of 233.23 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methanamine is sourced from PubChem (CID 63323237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).