N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine

C15H14F3NO — CID 106533262

IUPACN-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C15H14F3NO/c1-2-19-9-10-5-12(17)7-13(6-10)20-15-4-3-11(16)8-14(15)18/h3-8,19H,2,9H2,1H3
InChIKeyBZBSAWXNCBUEFV-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.01
Rot. Bonds5

About N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine

N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine (PubChem CID 106533262) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
PubChem CID106533262
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC NameN-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(Oc2ccc(F)cc2F)c1
InChIInChI=1S/C15H14F3NO/c1-2-19-9-10-5-12(17)7-13(6-10)20-15-4-3-11(16)8-14(15)18/h3-8,19H,2,9H2,1H3
InChIKeyBZBSAWXNCBUEFV-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-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine
CID 106533418
N-[[3-(4-ethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533297
N-[[3-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 107101981
N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533327
N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314106
N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450377
1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531306
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 43283372
[4-[4-(ethylaminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61228377
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757
N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine
CID 114855205
N-[[3-(2-bromo-4-chlorophenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 106533376

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine (CID 106533262) is N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine is CCNCc1cc(F)cc(Oc2ccc(F)cc2F)c1.
What is the InChIKey of N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine?
The InChIKey is BZBSAWXNCBUEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-2-19-9-10-5-12(17)7-13(6-10)20-15-4-3-11(16)8-14(15)18/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine?
N-[[3-(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-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 106533262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).