2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine

C14H20F3NO2 — CID 116716585

IUPAC2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
SMILESCCOC(CC)C(NC)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-4-11(19-5-2)13(18-3)10-8-6-7-9-12(10)20-14(15,16)17/h6-9,11,13,18H,4-5H2,1-3H3
InChIKeyIGDJKYSKRFTLOE-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.66
Rot. Bonds7

About 2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine

2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine (PubChem CID 116716585) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
PubChem CID116716585
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
SMILESCCOC(CC)C(NC)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-4-11(19-5-2)13(18-3)10-8-6-7-9-12(10)20-14(15,16)17/h6-9,11,13,18H,4-5H2,1-3H3
InChIKeyIGDJKYSKRFTLOE-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116715413
2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 79492226
2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine
CID 116717712
2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine
CID 116716584
3-[2-ethoxy-1-(methylamino)butyl]pyridin-2-amine
CID 116716649
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine
CID 79496366
2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine
CID 116717002
2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116720833
2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 65136492
1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene
CID 67813246
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine?
The IUPAC name of 2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine (CID 116716585) is 2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine.
What is the SMILES notation for 2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine?
The canonical SMILES for 2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine is CCOC(CC)C(NC)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine?
The InChIKey is IGDJKYSKRFTLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-4-11(19-5-2)13(18-3)10-8-6-7-9-12(10)20-14(15,16)17/h6-9,11,13,18H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine?
2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine has a molecular weight of 291.31 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine is sourced from PubChem (CID 116716585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).