1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine

C12H15F4NO — CID 66277200

IUPAC1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1OC(C)C(F)(F)F
InChIInChI=1S/C12H15F4NO/c1-7(17-3)11-9(13)5-4-6-10(11)18-8(2)12(14,15)16/h4-8,17H,1-3H3
InChIKeyKMDNAOUILXAZSW-UHFFFAOYSA-N
MW265.25 g/mol
LogP3.44
Rot. Bonds4

About 1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine

1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine (PubChem CID 66277200) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is 1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine
PubChem CID66277200
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC Name1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1OC(C)C(F)(F)F
InChIInChI=1S/C12H15F4NO/c1-7(17-3)11-9(13)5-4-6-10(11)18-8(2)12(14,15)16/h4-8,17H,1-3H3
InChIKeyKMDNAOUILXAZSW-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-6-(1-phenylethoxy)phenyl]-N-methylethanamine
CID 43285066
1-[2-fluoro-6-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285104
1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 43285076
1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285412
1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine
CID 62074641
1-[2-(2-bromo-4-fluorophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285267
1-[2-fluoro-6-(3-methylcyclohexyl)oxyphenyl]-N-methylethanamine
CID 43285864
(1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine
CID 102722399
1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 103283997
3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
CID 130738450
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801808
1-[2-(4-bromo-3-methylphenoxy)-6-fluorophenyl]-N-methylethanamine
CID 83140639

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine (CID 66277200) is 1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine is CNC(C)c1c(F)cccc1OC(C)C(F)(F)F.
What is the InChIKey of 1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine?
The InChIKey is KMDNAOUILXAZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-7(17-3)11-9(13)5-4-6-10(11)18-8(2)12(14,15)16/h4-8,17H,1-3H3.
What are the key properties of 1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine?
1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine has a molecular weight of 265.25 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 66277200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).