2-ethoxy-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline

C15H22F3NO — CID 116534590

IUPAC2-ethoxy-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
SMILESCCOc1cc(C)ccc1NC(C)CCCC(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-4-20-14-10-11(2)7-8-13(14)19-12(3)6-5-9-15(16,17)18/h7-8,10,12,19H,4-6,9H2,1-3H3
InChIKeyVNWZMFLSVSVSBA-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.93
Rot. Bonds7

About 2-ethoxy-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline

2-ethoxy-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline (PubChem CID 116534590) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline.

Molecular Properties

Compound Name2-ethoxy-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
PubChem CID116534590
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-ethoxy-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
SMILESCCOc1cc(C)ccc1NC(C)CCCC(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-4-20-14-10-11(2)7-8-13(14)19-12(3)6-5-9-15(16,17)18/h7-8,10,12,19H,4-6,9H2,1-3H3
InChIKeyVNWZMFLSVSVSBA-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 62535868
3-ethoxy-4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534427
1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanol
CID 113326521
3-methyl-4-(6,6,6-trifluorohexan-2-ylamino)benzoic acid
CID 116534457
5-chloro-2,4-dimethoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534009
2-methyl-N-(6,6,6-trifluorohexan-2-yl)-5-(trifluoromethyl)aniline
CID 116534878
4-bromo-N-(6,6,6-trifluorohexan-2-yl)-2-(trifluoromethyl)aniline
CID 116534532
N-ethyl-1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115513259
2-ethoxy-N-[1-(4-fluorophenyl)propyl]-4-methylaniline
CID 63452945
2,4-dibromo-5-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 103412151
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-ethoxy-4-methylaniline
CID 82964942
methyl 4-methyl-3-(6,6,6-trifluorohexan-2-ylamino)benzoate
CID 116534264

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline?
The IUPAC name of 2-ethoxy-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline (CID 116534590) is 2-ethoxy-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline.
What is the SMILES notation for 2-ethoxy-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline?
The canonical SMILES for 2-ethoxy-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline is CCOc1cc(C)ccc1NC(C)CCCC(F)(F)F.
What is the InChIKey of 2-ethoxy-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline?
The InChIKey is VNWZMFLSVSVSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-4-20-14-10-11(2)7-8-13(14)19-12(3)6-5-9-15(16,17)18/h7-8,10,12,19H,4-6,9H2,1-3H3.
What are the key properties of 2-ethoxy-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline?
2-ethoxy-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline has a molecular weight of 289.34 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline is sourced from PubChem (CID 116534590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).