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

C16H19FN2O — CID 63369861

IUPAC3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline
SMILESC[C@@H](N)c1ccc(Oc2cccc(N(C)C)c2)c(F)c1
InChIInChI=1S/C16H19FN2O/c1-11(18)12-7-8-16(15(17)9-12)20-14-6-4-5-13(10-14)19(2)3/h4-11H,18H2,1-3H3/t11-/m1/s1
InChIKeyMTVOFZVSYKIKCY-LLVKDONJSA-N
MW274.34 g/mol
LogP3.70
Rot. Bonds4

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

3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline (PubChem CID 63369861) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline
PubChem CID63369861
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline
SMILESC[C@@H](N)c1ccc(Oc2cccc(N(C)C)c2)c(F)c1
InChIInChI=1S/C16H19FN2O/c1-11(18)12-7-8-16(15(17)9-12)20-14-6-4-5-13(10-14)19(2)3/h4-11H,18H2,1-3H3/t11-/m1/s1
InChIKeyMTVOFZVSYKIKCY-LLVKDONJSA-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-[4-(1-aminoethyl)-2-fluorophenoxy]-N,N-dimethylaniline
CID 61229681
3-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline
CID 78938248
1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 43189188
3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 61229682
3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]-N,N-dimethylaniline
CID 78938251
(1R)-1-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 55183896
3-[2-(2-aminopropyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 63801822
(1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol
CID 78941855
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
CID 53484765
(1S)-1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanamine
CID 107724826
(1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 104892667
1-[4-(2,3-dichlorophenoxy)-3-fluorophenyl]ethanamine
CID 43106357

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline (CID 63369861) is 3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline is C[C@@H](N)c1ccc(Oc2cccc(N(C)C)c2)c(F)c1.
What is the InChIKey of 3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline?
The InChIKey is MTVOFZVSYKIKCY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-11(18)12-7-8-16(15(17)9-12)20-14-6-4-5-13(10-14)19(2)3/h4-11H,18H2,1-3H3/t11-/m1/s1.
What are the key properties of 3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline?
3-[4-[(1R)-1-aminoethyl]-2-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-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-N,N-dimethylaniline is sourced from PubChem (CID 63369861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).