2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline

C16H16F3NO — CID 107104398

IUPAC2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
SMILESCc1cccc(NCc2cccc(OC(F)(F)F)c2)c1C
InChIInChI=1S/C16H16F3NO/c1-11-5-3-8-15(12(11)2)20-10-13-6-4-7-14(9-13)21-16(17,18)19/h3-9,20H,10H2,1-2H3
InChIKeyAJDIREXEQJQLDH-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.81
Rot. Bonds4

About 2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline

2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline (PubChem CID 107104398) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
PubChem CID107104398
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
SMILESCc1cccc(NCc2cccc(OC(F)(F)F)c2)c1C
InChIInChI=1S/C16H16F3NO/c1-11-5-3-8-15(12(11)2)20-10-13-6-4-7-14(9-13)21-16(17,18)19/h3-9,20H,10H2,1-2H3
InChIKeyAJDIREXEQJQLDH-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104393
2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797823
N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 83335491
2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107633358
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline
CID 115525992
2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine
CID 107104507
5-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 103824040
N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773740
2-methyl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
CID 107104503
3-(tert-butylamino)-4-[[3-(trifluoromethoxy)phenyl]methylamino]cyclobut-3-ene-1,2-dione
CID 18922802
N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide
CID 73253844
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline (CID 107104398) is 2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline is Cc1cccc(NCc2cccc(OC(F)(F)F)c2)c1C.
What is the InChIKey of 2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline?
The InChIKey is AJDIREXEQJQLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11-5-3-8-15(12(11)2)20-10-13-6-4-7-14(9-13)21-16(17,18)19/h3-9,20H,10H2,1-2H3.
What are the key properties of 2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline?
2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline has a molecular weight of 295.30 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 107104398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).