2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C12H16F3NO2 — CID 62109907

IUPAC2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNCC(OCC(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C12H16F3NO2/c1-16-7-11(18-8-12(13,14)15)9-3-5-10(17-2)6-4-9/h3-6,11,16H,7-8H2,1-2H3
InChIKeyIGBAIOGCVXIZSX-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.53
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 62109907) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID62109907
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNCC(OCC(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C12H16F3NO2/c1-16-7-11(18-8-12(13,14)15)9-3-5-10(17-2)6-4-9/h3-6,11,16H,7-8H2,1-2H3
InChIKeyIGBAIOGCVXIZSX-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-[3,3,4,4,4-pentafluoro-1-(2,2,2-trifluoroethoxy)butyl]benzene
CID 156764494
2-(4-methoxyphenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 62108025
2-(4-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 53276269
2-(4-methoxyphenyl)-N-methyl-2-pentoxyethanamine
CID 62110727
2-(1-ethoxypropan-2-yloxy)-2-(4-methoxyphenyl)-N-methylethanamine
CID 103490183
N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine
CID 103725392
N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine
CID 82962987
(2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 92974659
2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792850
N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine
CID 62110255
2-(4-methoxyphenyl)-N-methyl-2-octan-2-yloxyethanamine
CID 62108868
N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275302

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 62109907) is 2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CNCC(OCC(F)(F)F)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is IGBAIOGCVXIZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-16-7-11(18-8-12(13,14)15)9-3-5-10(17-2)6-4-9/h3-6,11,16H,7-8H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 263.26 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 62109907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).