1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine

C16H18FNO — CID 43105896

IUPAC1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine
SMILESCCc1cccc(Oc2ccc(F)cc2C(C)N)c1
InChIInChI=1S/C16H18FNO/c1-3-12-5-4-6-14(9-12)19-16-8-7-13(17)10-15(16)11(2)18/h4-11H,3,18H2,1-2H3
InChIKeyNTKGEYRMGMGAJZ-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.20
Rot. Bonds4

About 1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine

1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine (PubChem CID 43105896) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine
PubChem CID43105896
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine
SMILESCCc1cccc(Oc2ccc(F)cc2C(C)N)c1
InChIInChI=1S/C16H18FNO/c1-3-12-5-4-6-14(9-12)19-16-8-7-13(17)10-15(16)11(2)18/h4-11H,3,18H2,1-2H3
InChIKeyNTKGEYRMGMGAJZ-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(1-aminoethyl)-4-fluorophenoxy]-N,N-dimethylaniline
CID 61229682
3-[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]-N,N-dimethylaniline
CID 78938251
1-[5-fluoro-2-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 43807090
(1R)-1-[5-fluoro-2-(3-nitrophenoxy)phenyl]ethanamine
CID 63370044
[4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol
CID 55182628
2-(3-ethylphenoxy)-5-fluorobenzaldehyde
CID 43313054
2-(3-ethylphenoxy)-6-fluoroaniline
CID 54920607
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 83234046
(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986581
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
1-[4-(3-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63815930
1-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81331401

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine (CID 43105896) is 1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine is CCc1cccc(Oc2ccc(F)cc2C(C)N)c1.
What is the InChIKey of 1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine?
The InChIKey is NTKGEYRMGMGAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-12-5-4-6-14(9-12)19-16-8-7-13(17)10-15(16)11(2)18/h4-11H,3,18H2,1-2H3.
What are the key properties of 1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine?
1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylphenoxy)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 43105896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).