N-Ethyl-N-[2-[4-(3,3-dimethoxy-4,4,4-trifluoro-but-1-yl)phenoxy]ethyl]dodecylamine

HCID 18319013

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCCCCCCCCN(CC)CCOc1ccc(CCC(OC)(OC)C(F)(F)F)cc1
InChIKey: AEJMDWXQBNHWJE-UHFFFAOYSA-N
Molecular formula: C28H48F3NO3
Average molar mass: 503.7 g/mol

Names & identifiers

Preferred name: N-Ethyl-N-[2-[4-(3,3-dimethoxy-4,4,4-trifluoro-but-1-yl)phenoxy]ethyl]dodecylamine
IUPAC: N-ethyl-N-[2-[4-(4,4,4-trifluoro-3,3-dimethoxybutyl)phenoxy]ethyl]dodecan-1-amine

Names & synonyms

N-Ethyl-N-[2-[4-(3,3-dimethoxy-4,4,4-trifluoro-but-1-yl)phenoxy]ethyl]dodecylamineSCHEMBL7627356N-Ethyl-N-[2-[4-(3,3-dimethoxy-4,4,4-trifluorobut-1-yl)phenoxy]ethyl]dodecylamine

Database identifiers

PubChem CID: 18319013

Properties

Computed structural properties

XLogP: 9.3
Topological polar surface area: 30.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 21
Heavy atoms: 35
Formal charge: 0
Complexity: 492

Related reactions

5 records

New reaction record

HRID 188711As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1383937As reactantuspto-grants-2001_07

HRID 1542896As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1700920As productuspto-grants-2002_02

HRID 1700921As reactantuspto-grants-2002_02

Compound notes

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