3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline

C16H19FN2O — CID 61229682

IUPAC3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline
SMILESCC(N)c1cc(F)ccc1Oc1cccc(N(C)C)c1
InChIInChI=1S/C16H19FN2O/c1-11(18)15-9-12(17)7-8-16(15)20-14-6-4-5-13(10-14)19(2)3/h4-11H,18H2,1-3H3
InChIKeyOPIURXSGEPXITL-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.70
Rot. Bonds4

About 3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline

3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline (PubChem CID 61229682) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline
PubChem CID61229682
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline
SMILESCC(N)c1cc(F)ccc1Oc1cccc(N(C)C)c1
InChIInChI=1S/C16H19FN2O/c1-11(18)15-9-12(17)7-8-16(15)20-14-6-4-5-13(10-14)19(2)3/h4-11H,18H2,1-3H3
InChIKeyOPIURXSGEPXITL-UHFFFAOYSA-N
XLogP3.70
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]-N,N-dimethylaniline
CID 78938251
(1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol
CID 78941855
3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 63801822
3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline
CID 63369861
1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 43105896
3-[4-(1-aminoethyl)-2-fluorophenoxy]-N,N-dimethylaniline
CID 61229681
3-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline
CID 78938248
1-[5-fluoro-2-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 43807090
(1R)-1-[5-fluoro-2-(3-nitrophenoxy)phenyl]ethanamine
CID 63370044
3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline
CID 103959354
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 83234046
1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81331401

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline (CID 61229682) is 3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline is CC(N)c1cc(F)ccc1Oc1cccc(N(C)C)c1.
What is the InChIKey of 3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline?
The InChIKey is OPIURXSGEPXITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-11(18)15-9-12(17)7-8-16(15)20-14-6-4-5-13(10-14)19(2)3/h4-11H,18H2,1-3H3.
What are the key properties of 3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline?
3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline has a molecular weight of 274.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline is sourced from PubChem (CID 61229682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).