3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline

C17H21FN2O — CID 61229881

IUPAC3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline
SMILESCCNCc1cc(F)ccc1Oc1cccc(N(C)C)c1
InChIInChI=1S/C17H21FN2O/c1-4-19-12-13-10-14(18)8-9-17(13)21-16-7-5-6-15(11-16)20(2)3/h5-11,19H,4,12H2,1-3H3
InChIKeyGWZPLNAXHIULEZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.79
Rot. Bonds6

About 3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline

3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline (PubChem CID 61229881) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline
PubChem CID61229881
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline
SMILESCCNCc1cc(F)ccc1Oc1cccc(N(C)C)c1
InChIInChI=1S/C17H21FN2O/c1-4-19-12-13-10-14(18)8-9-17(13)21-16-7-5-6-15(11-16)20(2)3/h5-11,19H,4,12H2,1-3H3
InChIKeyGWZPLNAXHIULEZ-UHFFFAOYSA-N
XLogP3.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 43314145
N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 43314233
3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 63801822
N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314185
N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314106
(1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol
CID 78941855
N-[[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 83141064
3-[[2-(ethylaminomethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 62484882
3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 61229682
3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]-N,N-dimethylaniline
CID 78938251
N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 62073087
N-[[5-fluoro-2-(2,4,5-trichlorophenoxy)phenyl]methyl]ethanamine
CID 43314088

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline (CID 61229881) is 3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline is CCNCc1cc(F)ccc1Oc1cccc(N(C)C)c1.
What is the InChIKey of 3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline?
The InChIKey is GWZPLNAXHIULEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-4-19-12-13-10-14(18)8-9-17(13)21-16-7-5-6-15(11-16)20(2)3/h5-11,19H,4,12H2,1-3H3.
What are the key properties of 3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline?
3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline has a molecular weight of 288.37 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylaminomethyl)-4-fluorophenoxy]-N,N-dimethylaniline is sourced from PubChem (CID 61229881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).