N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine

C15H14F3NO — CID 43314106

IUPACN-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C15H14F3NO/c1-2-19-9-10-7-11(16)3-5-14(10)20-15-6-4-12(17)8-13(15)18/h3-8,19H,2,9H2,1H3
InChIKeyFAXJSJNUVZSFIK-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.01
Rot. Bonds5

About N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine

N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine (PubChem CID 43314106) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
PubChem CID43314106
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC NameN-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C15H14F3NO/c1-2-19-9-10-7-11(16)3-5-14(10)20-15-6-4-12(17)8-13(15)18/h3-8,19H,2,9H2,1H3
InChIKeyFAXJSJNUVZSFIK-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 43314233
N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine
CID 114855205
N-[[5-fluoro-2-(2,4,5-trichlorophenoxy)phenyl]methyl]ethanamine
CID 43314088
N-[[2-(4-bromophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314185
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[[5-fluoro-2-(2-fluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63551058
N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 54880707
N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533262
N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552912
N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 62073087
N-[[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 83141064
N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990039

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine (CID 43314106) is N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine is CCNCc1cc(F)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine?
The InChIKey is FAXJSJNUVZSFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-2-19-9-10-7-11(16)3-5-14(10)20-15-6-4-12(17)8-13(15)18/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine?
N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine has a molecular weight of 281.28 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 43314106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).