2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine

C14H11BrF3NO — CID 107097595

IUPAC2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine
SMILESNCC(Oc1cc(Br)cc(F)c1F)c1ccccc1F
InChIInChI=1S/C14H11BrF3NO/c15-8-5-11(17)14(18)12(6-8)20-13(7-19)9-3-1-2-4-10(9)16/h1-6,13H,7,19H2
InChIKeyAYQVTAKGMSBUOD-UHFFFAOYSA-N
MW346.15 g/mol
LogP3.95
Rot. Bonds4

About 2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine

2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine (PubChem CID 107097595) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine
PubChem CID107097595
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine
SMILESNCC(Oc1cc(Br)cc(F)c1F)c1ccccc1F
InChIInChI=1S/C14H11BrF3NO/c15-8-5-11(17)14(18)12(6-8)20-13(7-19)9-3-1-2-4-10(9)16/h1-6,13H,7,19H2
InChIKeyAYQVTAKGMSBUOD-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-2-(2-fluorophenyl)ethanamine
CID 55019182
2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine
CID 55019037
2-(2-bromo-4-methoxyphenoxy)-2-(2-fluorophenyl)ethanamine
CID 104706806
2-(2-bromophenyl)-2-(2-fluorophenoxy)ethanamine
CID 55022598
2-[2-amino-1-(2-fluorophenyl)ethoxy]benzonitrile
CID 55018646
(1R)-1-[2-(5-bromo-2,3-difluorophenoxy)phenyl]propan-1-amine
CID 107099969
2-(4-bromothiophen-2-yl)-2-(2,3-difluorophenoxy)ethanamine
CID 63037613
2-(3-ethoxyphenoxy)-2-(2-fluorophenyl)ethanamine
CID 62337852
2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine
CID 82004110
2-(2-fluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63934056
2-(2,4-dibromophenoxy)-2-(2-methylphenyl)ethanamine
CID 64721518
2-[3-(5-bromo-2,3-difluorophenoxy)propoxy]aniline
CID 107097705

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine (CID 107097595) is 2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine is NCC(Oc1cc(Br)cc(F)c1F)c1ccccc1F.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine?
The InChIKey is AYQVTAKGMSBUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c15-8-5-11(17)14(18)12(6-8)20-13(7-19)9-3-1-2-4-10(9)16/h1-6,13H,7,19H2.
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine?
2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine has a molecular weight of 346.15 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-difluorophenoxy)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 107097595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).