2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine

C14H12ClF2NO — CID 106533549

IUPAC2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)cc(Oc2cccc(Cl)c2F)c1
InChIInChI=1S/C14H12ClF2NO/c15-12-2-1-3-13(14(12)17)19-11-7-9(4-5-18)6-10(16)8-11/h1-3,6-8H,4-5,18H2
InChIKeyHUEYLDBSIUQPTE-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.91
Rot. Bonds4

About 2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine

2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine (PubChem CID 106533549) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine
PubChem CID106533549
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)cc(Oc2cccc(Cl)c2F)c1
InChIInChI=1S/C14H12ClF2NO/c15-12-2-1-3-13(14(12)17)19-11-7-9(4-5-18)6-10(16)8-11/h1-3,6-8H,4-5,18H2
InChIKeyHUEYLDBSIUQPTE-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533476
2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 106533374
2-[3-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63941559
2-[2-chloro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 55238754
3-(3-chloro-2-fluorophenoxy)-5-fluorobenzonitrile
CID 102818270
[3-(2,3-difluorophenoxy)-5-fluorophenyl]methanol
CID 106530200
2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533423
1-chloro-3-[4-(chloromethyl)phenoxy]-2-fluorobenzene
CID 116689418
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 106533283
2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine
CID 116690763
3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline
CID 106533464

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine (CID 106533549) is 2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine is NCCc1cc(F)cc(Oc2cccc(Cl)c2F)c1.
What is the InChIKey of 2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine?
The InChIKey is HUEYLDBSIUQPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c15-12-2-1-3-13(14(12)17)19-11-7-9(4-5-18)6-10(16)8-11/h1-3,6-8H,4-5,18H2.
What are the key properties of 2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine?
2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine has a molecular weight of 283.71 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 106533549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).