2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine

C14H12BrF2NO — CID 83232351

IUPAC2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
SMILESNCC(Oc1ccc(F)c(Br)c1)c1cccc(F)c1
InChIInChI=1S/C14H12BrF2NO/c15-12-7-11(4-5-13(12)17)19-14(8-18)9-2-1-3-10(16)6-9/h1-7,14H,8,18H2
InChIKeyXUOHGFOIAXTGTP-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.81
Rot. Bonds4

About 2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine

2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine (PubChem CID 83232351) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
PubChem CID83232351
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
SMILESNCC(Oc1ccc(F)c(Br)c1)c1cccc(F)c1
InChIInChI=1S/C14H12BrF2NO/c15-12-7-11(4-5-13(12)17)19-14(8-18)9-2-1-3-10(16)6-9/h1-7,14H,8,18H2
InChIKeyXUOHGFOIAXTGTP-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
CID 83233344
2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 63879326
2-(4-bromo-3-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 65203686
2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine
CID 83232517
2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine
CID 65204084
2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 55020254
2-(4-bromo-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 83133763
2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 55017955
2-(3-bromo-4-fluorophenoxy)-N-methyl-2-phenylethanamine
CID 83235004
2-(3-bromo-4-fluorophenoxy)-2-(3-methylthiophen-2-yl)ethanamine
CID 83231873
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propan-1-amine
CID 79440611
2-(4-bromo-3-fluorophenoxy)-2-thiophen-3-ylethanamine
CID 65203482

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine (CID 83232351) is 2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine is NCC(Oc1ccc(F)c(Br)c1)c1cccc(F)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine?
The InChIKey is XUOHGFOIAXTGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c15-12-7-11(4-5-13(12)17)19-14(8-18)9-2-1-3-10(16)6-9/h1-7,14H,8,18H2.
What are the key properties of 2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine?
2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine has a molecular weight of 328.16 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 83232351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).