2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine

C15H22F3NO2 — CID 116761004

IUPAC2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
SMILESCCC(CC)(OC)C(NC)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H22F3NO2/c1-5-14(6-2,20-4)13(19-3)11-8-7-9-12(10-11)21-15(16,17)18/h7-10,13,19H,5-6H2,1-4H3
InChIKeyJHJPUFXADORZOT-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.05
Rot. Bonds7

About 2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine

2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine (PubChem CID 116761004) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
PubChem CID116761004
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
SMILESCCC(CC)(OC)C(NC)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H22F3NO2/c1-5-14(6-2,20-4)13(19-3)11-8-7-9-12(10-11)21-15(16,17)18/h7-10,13,19H,5-6H2,1-4H3
InChIKeyJHJPUFXADORZOT-UHFFFAOYSA-N
XLogP4.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]butyl]hydrazine
CID 105274524
N-methyl-1-phenyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916540
2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 116759943
N-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 105145817
N-methyl-1-[3-(trifluoromethoxy)phenyl]pent-4-yn-1-amine
CID 112749243
3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 103027521
(1S)-2-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 171229811
2-methoxy-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 79197999
3-(methylamino)-1-[3-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 171858529
1-hexan-2-yl-3-(trifluoromethoxy)benzene
CID 123947966
N-[2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 103516612
N-ethyl-3-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 81018899

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine?
The IUPAC name of 2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine (CID 116761004) is 2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine?
The canonical SMILES for 2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine is CCC(CC)(OC)C(NC)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine?
The InChIKey is JHJPUFXADORZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-5-14(6-2,20-4)13(19-3)11-8-7-9-12(10-11)21-15(16,17)18/h7-10,13,19H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine?
2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine has a molecular weight of 305.34 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine is sourced from PubChem (CID 116761004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).