N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine

C15H17BrFNO2 — CID 81326086

IUPACN-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2cc(F)cc(Br)c2)oc1C
InChIInChI=1S/C15H17BrFNO2/c1-3-18-8-11-4-15(20-10(11)2)9-19-14-6-12(16)5-13(17)7-14/h4-7,18H,3,8-9H2,1-2H3
InChIKeyOIHAOIODJIPEQJ-UHFFFAOYSA-N
MW342.21 g/mol
LogP4.18
Rot. Bonds6

About N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine

N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine (PubChem CID 81326086) has the molecular formula C15H17BrFNO2 and a molecular weight of 342.21 g/mol. Its IUPAC name is N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
PubChem CID81326086
Molecular FormulaC15H17BrFNO2
Molecular Weight342.21 g/mol
Exact Mass341.04
IUPAC NameN-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2cc(F)cc(Br)c2)oc1C
InChIInChI=1S/C15H17BrFNO2/c1-3-18-8-11-4-15(20-10(11)2)9-19-14-6-12(16)5-13(17)7-14/h4-7,18H,3,8-9H2,1-2H3
InChIKeyOIHAOIODJIPEQJ-UHFFFAOYSA-N
XLogP4.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 81326004
N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 81325778
N-[[5-[(3,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453235
N-[[5-[(4-bromo-3-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 65201154
1-[5-[(3,5-difluorophenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62784341
1-[5-[(3-bromo-5-fluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 81326085
N-[[2-(3-bromo-5-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83195724
N-[[5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453218
N-[[5-[(3-bromo-4-fluorophenoxy)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 83233998
3-(3-bromo-5-fluorophenoxy)-N-ethylpropan-1-amine
CID 81331914
N-[[5-[(3,5-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62783622
N-[[5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 102986614

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine (CID 81326086) is N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine is CCNCc1cc(COc2cc(F)cc(Br)c2)oc1C.
What is the InChIKey of N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine?
The InChIKey is OIHAOIODJIPEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO2/c1-3-18-8-11-4-15(20-10(11)2)9-19-14-6-12(16)5-13(17)7-14/h4-7,18H,3,8-9H2,1-2H3.
What are the key properties of N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine?
N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine has a molecular weight of 342.21 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-bromo-5-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine is sourced from PubChem (CID 81326086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).