N-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)aniline

C16H16F3NO — CID 144932781

IUPACN-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)aniline
SMILESCNc1ccc(C(F)(F)F)cc1COc1ccccc1C
InChIInChI=1S/C16H16F3NO/c1-11-5-3-4-6-15(11)21-10-12-9-13(16(17,18)19)7-8-14(12)20-2/h3-9,20H,10H2,1-2H3
InChIKeyOFPYKHLCTHGBMB-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.63
Rot. Bonds4

About N-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)aniline

N-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)aniline (PubChem CID 144932781) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)aniline
PubChem CID144932781
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)aniline
SMILESCNc1ccc(C(F)(F)F)cc1COc1ccccc1C
InChIInChI=1S/C16H16F3NO/c1-11-5-3-4-6-15(11)21-10-12-9-13(16(17,18)19)7-8-14(12)20-2/h3-9,20H,10H2,1-2H3
InChIKeyOFPYKHLCTHGBMB-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-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117220992
O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamothioate
CID 126589005
5-cyclopropyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144933472
3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144784976
3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144738896
ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene
CID 143034150
N'-[2-(2-methylphenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 8696577
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
CID 59416571
ethane;5-ethyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline;propanal
CID 144933057
1-(bromomethyl)-4-(trifluoromethyl)benzene;2-methylphenol;1-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 157147743
2-[(2-methoxyphenyl)methoxy]-5-(trifluoromethyl)aniline
CID 19627063

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)aniline (CID 144932781) is N-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)aniline is CNc1ccc(C(F)(F)F)cc1COc1ccccc1C.
What is the InChIKey of N-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)aniline?
The InChIKey is OFPYKHLCTHGBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11-5-3-4-6-15(11)21-10-12-9-13(16(17,18)19)7-8-14(12)20-2/h3-9,20H,10H2,1-2H3.
What are the key properties of N-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)aniline?
N-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)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 N-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 144932781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).