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

1,1,1-Trifluoro-3-[[[2-(trifluoromethyl)phenyl]methyl]amino]-2-propanol
CID 2783073
1-{[2-(Trifluoromethyl)benzyl]amino}-2-propanol hydrochloride
CID 2966559
1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 651922
N-(2,6-difluorobenzyl)-1-methoxypropan-2-amine
CID 2851055
1-{[2-(Trifluoromethyl)benzyl]amino}propan-2-ol
CID 2966560
2-{Propyl[2-(trifluoromethyl)benzyl]amino}ethanol
CID 782481
1-(Trifluoromethyl)-2-(morpholinomethyl)benzene
CID 782689
N-(2-fluorobenzyl)-2-methoxyethanamine
CID 3931060
[2-(Morpholin-4-ylmethyl)phenyl]methanamine
CID 4962390
[(3,4-Dimethylphenyl)methyl](2-methoxyethyl)amine
CID 43220287
N-(2,5-difluorobenzyl)-1-methoxypropan-2-amine
CID 3126331
5-Fluoro-2-[[2-methoxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzonitrile
CID 56788621

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).