2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine

C14H19F4NO — CID 114941536

IUPAC2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H19F4NO/c1-4-20-13(2,3)9-19-8-10-5-6-11(15)7-12(10)14(16,17)18/h5-7,19H,4,8-9H2,1-3H3
InChIKeyALOYDQWXEOGAHG-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.75
Rot. Bonds6

About 2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine

2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 114941536) has the molecular formula C14H19F4NO and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID114941536
Molecular FormulaC14H19F4NO
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC Name2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H19F4NO/c1-4-20-13(2,3)9-19-8-10-5-6-11(15)7-12(10)14(16,17)18/h5-7,19H,4,8-9H2,1-3H3
InChIKeyALOYDQWXEOGAHG-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 78927299
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol
CID 103821545
2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 114940815
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide
CID 103824330
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine
CID 102696977
N-[(2-fluorophenyl)methyl]-1-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 112731308
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 81297245
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
CID 103952707
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-thiophen-3-ylmethanamine
CID 78921732
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine
CID 113465470
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 78921852
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 78921086

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of 2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine (CID 114941536) is 2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for 2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine is CCOC(C)(C)CNCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ALOYDQWXEOGAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO/c1-4-20-13(2,3)9-19-8-10-5-6-11(15)7-12(10)14(16,17)18/h5-7,19H,4,8-9H2,1-3H3.
What are the key properties of 2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine?
2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.30 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114941536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).