1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine

C15H14F3NO — CID 107524051

IUPAC1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
SMILESCc1ccc(F)cc1OCC(N)c1ccc(F)cc1F
InChIInChI=1S/C15H14F3NO/c1-9-2-3-11(17)7-15(9)20-8-14(19)12-5-4-10(16)6-13(12)18/h2-7,14H,8,19H2,1H3
InChIKeyMDDUSXSUGQHXCZ-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.49
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine

1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine (PubChem CID 107524051) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
PubChem CID107524051
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
SMILESCc1ccc(F)cc1OCC(N)c1ccc(F)cc1F
InChIInChI=1S/C15H14F3NO/c1-9-2-3-11(17)7-15(9)20-8-14(19)12-5-4-10(16)6-13(12)18/h2-7,14H,8,19H2,1H3
InChIKeyMDDUSXSUGQHXCZ-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-(2,4-difluorophenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16783272
2-(2,3-difluorophenoxy)-1-(2,4-difluorophenyl)ethanamine
CID 107523625
2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 102981023
1-(2,5-difluorophenyl)-2-(2-methylphenoxy)ethanamine
CID 16789582
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine
CID 107657092
2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 105142711
1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855010
(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171199037
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 102977758
3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 102990248

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine (CID 107524051) is 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine is Cc1ccc(F)cc1OCC(N)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine?
The InChIKey is MDDUSXSUGQHXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-9-2-3-11(17)7-15(9)20-8-14(19)12-5-4-10(16)6-13(12)18/h2-7,14H,8,19H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine?
1-(2,4-difluorophenyl)-2-(5-fluoro-2-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-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine is sourced from PubChem (CID 107524051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).