1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine

C15H14F3NO — CID 107523679

IUPAC1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
SMILESNC(COCc1ccccc1F)c1cc(F)ccc1F
InChIInChI=1S/C15H14F3NO/c16-11-5-6-14(18)12(7-11)15(19)9-20-8-10-3-1-2-4-13(10)17/h1-7,15H,8-9,19H2
InChIKeyXQJBABPYKPTMEP-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.32
Rot. Bonds5

About 1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine

1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine (PubChem CID 107523679) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
PubChem CID107523679
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
SMILESNC(COCc1ccccc1F)c1cc(F)ccc1F
InChIInChI=1S/C15H14F3NO/c16-11-5-6-14(18)12(7-11)15(19)9-20-8-10-3-1-2-4-13(10)17/h1-7,15H,8-9,19H2
InChIKeyXQJBABPYKPTMEP-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63932433
1-(2,5-difluorophenyl)-2-(2-methylphenoxy)ethanamine
CID 16789582
2-(2-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 43197901
2-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)ethanamine
CID 63936123
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
2-[(2-fluorophenyl)methoxy]-1-(4-methoxyphenyl)ethanamine
CID 63932424
1-(2,5-difluorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 107523950
2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine
CID 107523541
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine
CID 107657092
2-[(2-chlorophenyl)methylsulfanyl]-1-(2,5-difluorophenyl)ethanamine
CID 107525556
1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 18071110
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine (CID 107523679) is 1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine is NC(COCc1ccccc1F)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine?
The InChIKey is XQJBABPYKPTMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c16-11-5-6-14(18)12(7-11)15(19)9-20-8-10-3-1-2-4-13(10)17/h1-7,15H,8-9,19H2.
What are the key properties of 1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine?
1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine has a molecular weight of 281.28 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanamine is sourced from PubChem (CID 107523679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).