2-[2-fluoro-4-(2-fluorophenyl)phenoxy]ethanamine

C14H13F2NO — CID 163408392

IUPAC2-[2-fluoro-4-(2-fluorophenyl)phenoxy]ethanamine
SMILESNCCOc1ccc(-c2ccccc2F)cc1F
InChIInChI=1S/C14H13F2NO/c15-12-4-2-1-3-11(12)10-5-6-14(13(16)9-10)18-8-7-17/h1-6,9H,7-8,17H2
InChIKeyZUDVEDFLFZQESK-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.97
Rot. Bonds4

About 2-[2-fluoro-4-(2-fluorophenyl)phenoxy]ethanamine

2-[2-fluoro-4-(2-fluorophenyl)phenoxy]ethanamine (PubChem CID 163408392) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2-fluorophenyl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[2-fluoro-4-(2-fluorophenyl)phenoxy]ethanamine
PubChem CID163408392
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-[2-fluoro-4-(2-fluorophenyl)phenoxy]ethanamine
SMILESNCCOc1ccc(-c2ccccc2F)cc1F
InChIInChI=1S/C14H13F2NO/c15-12-4-2-1-3-11(12)10-5-6-14(13(16)9-10)18-8-7-17/h1-6,9H,7-8,17H2
InChIKeyZUDVEDFLFZQESK-UHFFFAOYSA-N
XLogP2.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(2-fluorophenyl)-1-propoxybenzene
CID 174492898
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
2-[2-methyl-4-(2-methylphenyl)phenoxy]ethanamine;hydrochloride
CID 163408307
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272
2-(2-fluoro-4-methylphenoxy)ethanamine
CID 83695309
3-[4-(2-fluorophenyl)phenoxy]propan-1-amine
CID 39348686
O-[2-chloro-4-(2-fluorophenyl)phenyl]hydroxylamine
CID 142573176
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
2-fluoro-4-[2-(3-fluoro-4-heptylphenyl)phenyl]-1-octoxybenzene
CID 161025706
2-[2-(2-aminoethoxy)phenoxy]ethanamine
CID 2054448
1,4-bis(2-fluorophenyl)benzene
CID 58121760

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(2-fluorophenyl)phenoxy]ethanamine?
The IUPAC name of 2-[2-fluoro-4-(2-fluorophenyl)phenoxy]ethanamine (CID 163408392) is 2-[2-fluoro-4-(2-fluorophenyl)phenoxy]ethanamine.
What is the SMILES notation for 2-[2-fluoro-4-(2-fluorophenyl)phenoxy]ethanamine?
The canonical SMILES for 2-[2-fluoro-4-(2-fluorophenyl)phenoxy]ethanamine is NCCOc1ccc(-c2ccccc2F)cc1F.
What is the InChIKey of 2-[2-fluoro-4-(2-fluorophenyl)phenoxy]ethanamine?
The InChIKey is ZUDVEDFLFZQESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-12-4-2-1-3-11(12)10-5-6-14(13(16)9-10)18-8-7-17/h1-6,9H,7-8,17H2.
What are the key properties of 2-[2-fluoro-4-(2-fluorophenyl)phenoxy]ethanamine?
2-[2-fluoro-4-(2-fluorophenyl)phenoxy]ethanamine has a molecular weight of 249.26 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(2-fluorophenyl)phenoxy]ethanamine is sourced from PubChem (CID 163408392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).