3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline

C16H19FN2O — CID 106533464

IUPAC3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(Oc2cc(F)cc(CCN)c2)c1
InChIInChI=1S/C16H19FN2O/c1-19(2)14-4-3-5-15(11-14)20-16-9-12(6-7-18)8-13(17)10-16/h3-5,8-11H,6-7,18H2,1-2H3
InChIKeyYQDOAGLDYUSFHO-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.19
Rot. Bonds5

About 3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline

3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline (PubChem CID 106533464) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline
PubChem CID106533464
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(Oc2cc(F)cc(CCN)c2)c1
InChIInChI=1S/C16H19FN2O/c1-19(2)14-4-3-5-15(11-14)20-16-9-12(6-7-18)8-13(17)10-16/h3-5,8-11H,6-7,18H2,1-2H3
InChIKeyYQDOAGLDYUSFHO-UHFFFAOYSA-N
XLogP3.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533423
3-[3-(dimethylamino)phenoxy]-5-fluorobenzonitrile
CID 102818047
2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533476
3-[[4-(2-aminoethyl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350827
2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 106533283
2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533549
3-[4-(bromomethyl)-2,6-difluorophenoxy]-N,N-dimethylaniline
CID 107088145
3-[2-(2-aminoethyl)-5-chlorophenoxy]-N,N-dimethylaniline
CID 114863221
2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 106533374
2-[3-(3,4-difluorophenoxy)phenyl]ethanamine
CID 63941961
3-(3-methoxyphenoxy)-N,N-dimethylaniline
CID 138490404
1-[3-(3,5-difluorophenoxy)phenyl]propan-2-amine
CID 63943526

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline (CID 106533464) is 3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline is CN(C)c1cccc(Oc2cc(F)cc(CCN)c2)c1.
What is the InChIKey of 3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline?
The InChIKey is YQDOAGLDYUSFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-19(2)14-4-3-5-15(11-14)20-16-9-12(6-7-18)8-13(17)10-16/h3-5,8-11H,6-7,18H2,1-2H3.
What are the key properties of 3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline?
3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline has a molecular weight of 274.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline is sourced from PubChem (CID 106533464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).