2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine

C16H18FNO — CID 63817525

IUPAC2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine
SMILESCCc1ccc(Oc2ccc(F)cc2CCN)cc1
InChIInChI=1S/C16H18FNO/c1-2-12-3-6-15(7-4-12)19-16-8-5-14(17)11-13(16)9-10-18/h3-8,11H,2,9-10,18H2,1H3
InChIKeyNHMVZDHIHCMQON-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.68
Rot. Bonds5

About 2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine

2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine (PubChem CID 63817525) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine
PubChem CID63817525
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine
SMILESCCc1ccc(Oc2ccc(F)cc2CCN)cc1
InChIInChI=1S/C16H18FNO/c1-2-12-3-6-15(7-4-12)19-16-8-5-14(17)11-13(16)9-10-18/h3-8,11H,2,9-10,18H2,1H3
InChIKeyNHMVZDHIHCMQON-UHFFFAOYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine
CID 63815036
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757
1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63815425
[2-(4-butylphenoxy)-5-fluorophenyl]methanamine
CID 115492190
2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine
CID 63802635
2-[5-fluoro-2-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102990405
2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine
CID 114863148
2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81326172
2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine
CID 63803303
2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine
CID 63815572
2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63803297
1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 115492896

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine (CID 63817525) is 2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine is CCc1ccc(Oc2ccc(F)cc2CCN)cc1.
What is the InChIKey of 2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine?
The InChIKey is NHMVZDHIHCMQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-2-12-3-6-15(7-4-12)19-16-8-5-14(17)11-13(16)9-10-18/h3-8,11H,2,9-10,18H2,1H3.
What are the key properties of 2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine?
2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 63817525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).