Sea-0400

C₂₁H₁₉F₂NO₃CAS 223104-29-8371.38 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₂₁H₁₉F₂NO₃
Molar mass: 371.38 g/mol
Exact mass: 371.1333 Da
logP: 5.32Crippen estimate
Polar surface area: 53.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

223104-29-8

SMILES

CCOC1=CC(=C(C=C1)OC2=CC=C(C=C2)OCC3=C(C=CC(=C3)F)F)N

InChIKey

YSUBLPUJDOWYDP-UHFFFAOYSA-N

InChI

InChI=1S/C21H19F2NO3/c1-2-25-18-8-10-21(20(24)12-18)27-17-6-4-16(5-7-17)26-13-14-11-15(22)3-9-19(14)23/h3-12H,2,13,24H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Sea-0400

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Diethoxyaniline94-85-951 % similar 1-Ethoxy-4-fluorobenzene459-26-743 % similar 1-Ethoxy-3-fluorobenzene458-03-741 % similar 5-Fluoro-2-methoxyaniline1978-39-838 % similar P-Phenetidine156-43-438 % similar 1,2-Benzenediamine, 4-ethoxy-, sulfate (1:1)85137-09-337 % similar 2,5-Difluorobenzenemethanamine85118-06-536 % similar 2,5-Difluoroaniline367-30-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook