2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine

C13H19F2NO2 — CID 82006979

IUPAC2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCNCC(OCC(F)F)c1cccc(OC)c1
InChIInChI=1S/C13H19F2NO2/c1-3-16-8-12(18-9-13(14)15)10-5-4-6-11(7-10)17-2/h4-7,12-13,16H,3,8-9H2,1-2H3
InChIKeyHINBBROJSPGMNQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.63
Rot. Bonds8

About 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine

2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine (PubChem CID 82006979) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
PubChem CID82006979
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCNCC(OCC(F)F)c1cccc(OC)c1
InChIInChI=1S/C13H19F2NO2/c1-3-16-8-12(18-9-13(14)15)10-5-4-6-11(7-10)17-2/h4-7,12-13,16H,3,8-9H2,1-2H3
InChIKeyHINBBROJSPGMNQ-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3-methoxyphenyl)-2-propoxyethanamine
CID 55036120
2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 106205144
2-cyclohexyloxy-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 62106648
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine
CID 62109389
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)-N-methylethanamine
CID 82004737
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
CID 82004138
N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine
CID 62110255
2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine
CID 55036389
2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 82936496
N-ethyl-3-methoxy-2-(3-methoxyphenoxy)propan-1-amine
CID 103228176
2-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 62107996

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine (CID 82006979) is 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine is CCNCC(OCC(F)F)c1cccc(OC)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The InChIKey is HINBBROJSPGMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-3-16-8-12(18-9-13(14)15)10-5-4-6-11(7-10)17-2/h4-7,12-13,16H,3,8-9H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine?
2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine has a molecular weight of 259.30 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 82006979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).