2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine

C14H12F3NO — CID 55020254

IUPAC2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine
SMILESNCC(Oc1ccc(F)cc1F)c1cccc(F)c1
InChIInChI=1S/C14H12F3NO/c15-10-3-1-2-9(6-10)14(8-18)19-13-5-4-11(16)7-12(13)17/h1-7,14H,8,18H2
InChIKeyGIPSFRFUQUCUPL-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.18
Rot. Bonds4

About 2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine

2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine (PubChem CID 55020254) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine
PubChem CID55020254
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine
SMILESNCC(Oc1ccc(F)cc1F)c1cccc(F)c1
InChIInChI=1S/C14H12F3NO/c15-10-3-1-2-9(6-10)14(8-18)19-13-5-4-11(16)7-12(13)17/h1-7,14H,8,18H2
InChIKeyGIPSFRFUQUCUPL-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 55017955
2-(4-ethyl-2-methoxyphenoxy)-2-(3-fluorophenyl)ethanamine
CID 107663995
2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine
CID 115401662
2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 83232351
2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 63879326
2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 107656247
2-(3-fluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63934471
2-(4-bromo-3-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 65203686
2-(2-fluoro-3-methylphenoxy)-2-(4-fluorophenyl)ethanamine
CID 107656314
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
2-(2,5-difluorophenoxy)-2-thiophen-3-ylethanamine
CID 63268980
2-(3-bromophenyl)-2-(2,4-dichlorophenoxy)ethanamine
CID 55193005

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine (CID 55020254) is 2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine is NCC(Oc1ccc(F)cc1F)c1cccc(F)c1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine?
The InChIKey is GIPSFRFUQUCUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-10-3-1-2-9(6-10)14(8-18)19-13-5-4-11(16)7-12(13)17/h1-7,14H,8,18H2.
What are the key properties of 2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine?
2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine has a molecular weight of 267.25 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 55020254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).