N-[[4-[(3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine

C15H18FNO2 — CID 55076906

IUPACN-[[4-[(3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2cccc(F)c2)c(C)o1
InChIInChI=1S/C15H18FNO2/c1-3-17-9-15-7-12(11(2)19-15)10-18-14-6-4-5-13(16)8-14/h4-8,17H,3,9-10H2,1-2H3
InChIKeyWPJIJFZXQGCOQE-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.42
Rot. Bonds6

About N-[[4-[(3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine

N-[[4-[(3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine (PubChem CID 55076906) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[[4-[(3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine
PubChem CID55076906
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-[[4-[(3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2cccc(F)c2)c(C)o1
InChIInChI=1S/C15H18FNO2/c1-3-17-9-15-7-12(11(2)19-15)10-18-14-6-4-5-13(16)8-14/h4-8,17H,3,9-10H2,1-2H3
InChIKeyWPJIJFZXQGCOQE-UHFFFAOYSA-N
XLogP3.42
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine (CID 55076906) is N-[[4-[(3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine is CCNCc1cc(COc2cccc(F)c2)c(C)o1.
What is the InChIKey of N-[[4-[(3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine?
The InChIKey is WPJIJFZXQGCOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-3-17-9-15-7-12(11(2)19-15)10-18-14-6-4-5-13(16)8-14/h4-8,17H,3,9-10H2,1-2H3.
What are the key properties of N-[[4-[(3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine?
N-[[4-[(3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine has a molecular weight of 263.31 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 55076906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).