2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

C14H20F3NO2 — CID 78910480

IUPAC2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCOC(CNCc1cccc(C(F)(F)F)c1)OCC
InChIInChI=1S/C14H20F3NO2/c1-3-19-13(20-4-2)10-18-9-11-6-5-7-12(8-11)14(15,16)17/h5-8,13,18H,3-4,9-10H2,1-2H3
InChIKeyJGGVNAOMIZJYQB-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.19
Rot. Bonds8

About 2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine

2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 78910480) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID78910480
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCOC(CNCc1cccc(C(F)(F)F)c1)OCC
InChIInChI=1S/C14H20F3NO2/c1-3-19-13(20-4-2)10-18-9-11-6-5-7-12(8-11)14(15,16)17/h5-8,13,18H,3-4,9-10H2,1-2H3
InChIKeyJGGVNAOMIZJYQB-UHFFFAOYSA-N
XLogP3.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-diethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 71521606
N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine
CID 115526613
2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanenitrile
CID 43242659
4-chloro-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 66089921
(2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 70832697
2-methylidene-N-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 66045680
2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106451262
3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 28673176
1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
CID 134033677
N-[(5-fluoro-2-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 119160611
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 78910480) is 2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is CCOC(CNCc1cccc(C(F)(F)F)c1)OCC.
What is the InChIKey of 2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is JGGVNAOMIZJYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-3-19-13(20-4-2)10-18-9-11-6-5-7-12(8-11)14(15,16)17/h5-8,13,18H,3-4,9-10H2,1-2H3.
What are the key properties of 2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 291.31 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 78910480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).