2,2-diethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine

C15H22F3NO2 — CID 79139621

IUPAC2,2-diethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
SMILESCCOC(CNC(C)c1ccc(C(F)(F)F)cc1)OCC
InChIInChI=1S/C15H22F3NO2/c1-4-20-14(21-5-2)10-19-11(3)12-6-8-13(9-7-12)15(16,17)18/h6-9,11,14,19H,4-5,10H2,1-3H3
InChIKeyIWKVDFXJELYDLD-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.76
Rot. Bonds8

About 2,2-diethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine

2,2-diethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine (PubChem CID 79139621) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2,2-diethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
PubChem CID79139621
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name2,2-diethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
SMILESCCOC(CNC(C)c1ccc(C(F)(F)F)cc1)OCC
InChIInChI=1S/C15H22F3NO2/c1-4-20-14(21-5-2)10-19-11(3)12-6-8-13(9-7-12)15(16,17)18/h6-9,11,14,19H,4-5,10H2,1-3H3
InChIKeyIWKVDFXJELYDLD-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine?
The IUPAC name of 2,2-diethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine (CID 79139621) is 2,2-diethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine?
The canonical SMILES for 2,2-diethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine is CCOC(CNC(C)c1ccc(C(F)(F)F)cc1)OCC.
What is the InChIKey of 2,2-diethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine?
The InChIKey is IWKVDFXJELYDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-4-20-14(21-5-2)10-19-11(3)12-6-8-13(9-7-12)15(16,17)18/h6-9,11,14,19H,4-5,10H2,1-3H3.
What are the key properties of 2,2-diethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine?
2,2-diethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine has a molecular weight of 305.34 g/mol, XLogP of 3.76, 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-[1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine is sourced from PubChem (CID 79139621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).