2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine

C14H12F3NO — CID 106533423

IUPAC2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)cc(Oc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H12F3NO/c15-10-5-9(3-4-18)6-12(7-10)19-11-1-2-13(16)14(17)8-11/h1-2,5-8H,3-4,18H2
InChIKeyYVIKBEOWFVKJMG-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.40
Rot. Bonds4

About 2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine

2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine (PubChem CID 106533423) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine
PubChem CID106533423
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)cc(Oc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H12F3NO/c15-10-5-9(3-4-18)6-12(7-10)19-11-1-2-13(16)14(17)8-11/h1-2,5-8H,3-4,18H2
InChIKeyYVIKBEOWFVKJMG-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.40
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-(3,4-difluorophenoxy)phenyl]ethanamine
CID 63941961
2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 106533283
3-[3-(2-aminoethyl)-5-fluorophenoxy]-N,N-dimethylaniline
CID 106533464
N-[[3-(3,4-difluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533424
2-[3-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533549
2-[3-fluoro-5-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 106533374
2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine
CID 106533557
2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 103040665
2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 106533565
2-[3-fluoro-5-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 106533561
4-(4-ethylphenoxy)-1,2-difluorobenzene
CID 70811665

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine (CID 106533423) is 2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine is NCCc1cc(F)cc(Oc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine?
The InChIKey is YVIKBEOWFVKJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-10-5-9(3-4-18)6-12(7-10)19-11-1-2-13(16)14(17)8-11/h1-2,5-8H,3-4,18H2.
What are the key properties of 2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine?
2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine has a molecular weight of 267.25 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 106533423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).