2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine

C15H15F2NO2 — CID 63036932

IUPAC2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)COc2cccc(F)c2F)c1
InChIInChI=1S/C15H15F2NO2/c1-19-11-5-2-4-10(8-11)13(18)9-20-14-7-3-6-12(16)15(14)17/h2-8,13H,9,18H2,1H3
InChIKeyFEDBKGCKGXBYFQ-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.05
Rot. Bonds5

About 2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine

2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine (PubChem CID 63036932) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine
PubChem CID63036932
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(N)COc2cccc(F)c2F)c1
InChIInChI=1S/C15H15F2NO2/c1-19-11-5-2-4-10(8-11)13(18)9-20-14-7-3-6-12(16)15(14)17/h2-8,13H,9,18H2,1H3
InChIKeyFEDBKGCKGXBYFQ-UHFFFAOYSA-N
XLogP3.05
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-2-naphthalen-1-yloxyethanamine
CID 16788018
2-(2-ethylphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 43364268
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanamine
CID 63038149
2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 62336890
2-(4-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 16791340
1-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 43118068
1-(3-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
CID 117242766
2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine
CID 63036402
1-(3-methoxyphenyl)-2-pyridin-3-yloxyethanamine
CID 117242794
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
CID 82004138
2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine
CID 62607710
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine (CID 63036932) is 2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine is COc1cccc(C(N)COc2cccc(F)c2F)c1.
What is the InChIKey of 2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is FEDBKGCKGXBYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-19-11-5-2-4-10(8-11)13(18)9-20-14-7-3-6-12(16)15(14)17/h2-8,13H,9,18H2,1H3.
What are the key properties of 2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine?
2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 279.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenoxy)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 63036932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).