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

C16H16F3NO — CID 107104393

IUPAC2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
SMILESCCc1ccccc1NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-2-13-7-3-4-9-15(13)20-11-12-6-5-8-14(10-12)21-16(17,18)19/h3-10,20H,2,11H2,1H3
InChIKeyIJUSBEBEOSKFCH-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.76
Rot. Bonds5

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

2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline (PubChem CID 107104393) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
PubChem CID107104393
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
SMILESCCc1ccccc1NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-2-13-7-3-4-9-15(13)20-11-12-6-5-8-14(10-12)21-16(17,18)19/h3-10,20H,2,11H2,1H3
InChIKeyIJUSBEBEOSKFCH-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104398
N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 83335491
2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile
CID 43764488
1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3818160
2-(methylsulfinylmethyl)-N-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]aniline
CID 139004195
N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline
CID 115525983
2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107633358
N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide
CID 73253844
3-(tert-butylamino)-4-[[3-(trifluoromethoxy)phenyl]methylamino]cyclobut-3-ene-1,2-dione
CID 18922802
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
N-[[3-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83304199
N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 60874269

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline?
The IUPAC name of 2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline (CID 107104393) is 2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline?
The canonical SMILES for 2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline is CCc1ccccc1NCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline?
The InChIKey is IJUSBEBEOSKFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-2-13-7-3-4-9-15(13)20-11-12-6-5-8-14(10-12)21-16(17,18)19/h3-10,20H,2,11H2,1H3.
What are the key properties of 2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline?
2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline has a molecular weight of 295.30 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 107104393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).