2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline

C16H16F3NO — CID 791955

IUPAC2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESCOc1ccc(C)cc1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-11-6-7-15(21-2)14(8-11)20-10-12-4-3-5-13(9-12)16(17,18)19/h3-9,20H,10H2,1-2H3
InChIKeyIMNSNTCCILGADX-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.63
Rot. Bonds4

About 2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline

2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 791955) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID791955
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
SMILESCOc1ccc(C)cc1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-11-6-7-15(21-2)14(8-11)20-10-12-4-3-5-13(9-12)16(17,18)19/h3-9,20H,10H2,1-2H3
InChIKeyIMNSNTCCILGADX-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788028
5-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 107926869
N-[(4-methoxy-3-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 43758496
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
5-tert-butyl-N-[(3-fluorophenyl)methyl]-2-methoxyaniline
CID 43229847
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
4-chloro-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107620989
2-[3-[(2-methoxy-5-methylanilino)methyl]phenoxy]acetonitrile
CID 43761084
N'-(2-methoxy-5-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 108955782
N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 119160611
5-[(dimethylamino)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43686510
1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 134015070

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline (CID 791955) is 2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is COc1ccc(C)cc1NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is IMNSNTCCILGADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11-6-7-15(21-2)14(8-11)20-10-12-4-3-5-13(9-12)16(17,18)19/h3-9,20H,10H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline?
2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 295.30 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 791955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).