1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine

C15H14F3NO — CID 107657092

IUPAC1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine
SMILESCc1cccc(OCC(N)c2cc(F)ccc2F)c1F
InChIInChI=1S/C15H14F3NO/c1-9-3-2-4-14(15(9)18)20-8-13(19)11-7-10(16)5-6-12(11)17/h2-7,13H,8,19H2,1H3
InChIKeyKNRQJYMORDGAFM-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.49
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine

1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine (PubChem CID 107657092) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine
PubChem CID107657092
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine
SMILESCc1cccc(OCC(N)c2cc(F)ccc2F)c1F
InChIInChI=1S/C15H14F3NO/c1-9-3-2-4-14(15(9)18)20-8-13(19)11-7-10(16)5-6-12(11)17/h2-7,13H,8,19H2,1H3
InChIKeyKNRQJYMORDGAFM-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-(2-methylphenoxy)ethanamine
CID 16789582
2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine
CID 107523625
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 107524051
2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 105142711
2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine
CID 64853630
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanamine
CID 63038149
1-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16783272
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine
CID 105396960
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 66096733
3-(2-fluoro-3-methylphenoxy)-2-methylpropan-1-amine
CID 107659711
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine (CID 107657092) is 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine is Cc1cccc(OCC(N)c2cc(F)ccc2F)c1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine?
The InChIKey is KNRQJYMORDGAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-9-3-2-4-14(15(9)18)20-8-13(19)11-7-10(16)5-6-12(11)17/h2-7,13H,8,19H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine?
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine has a molecular weight of 281.28 g/mol, XLogP of 3.49, 4 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-fluoro-3-methylphenoxy)ethanamine is sourced from PubChem (CID 107657092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).