1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine

C17H16FNO2 — CID 62458875

IUPAC1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
SMILESCNCc1c(COc2cccc(F)c2)oc2ccccc12
InChIInChI=1S/C17H16FNO2/c1-19-10-15-14-7-2-3-8-16(14)21-17(15)11-20-13-6-4-5-12(18)9-13/h2-9,19H,10-11H2,1H3
InChIKeyXTDAKUMSIZLJSU-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.87
Rot. Bonds5

About 1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine

1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine (PubChem CID 62458875) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
PubChem CID62458875
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
SMILESCNCc1c(COc2cccc(F)c2)oc2ccccc12
InChIInChI=1S/C17H16FNO2/c1-19-10-15-14-7-2-3-8-16(14)21-17(15)11-20-13-6-4-5-12(18)9-13/h2-9,19H,10-11H2,1H3
InChIKeyXTDAKUMSIZLJSU-UHFFFAOYSA-N
XLogP3.87
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine (CID 62458875) is 1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine is CNCc1c(COc2cccc(F)c2)oc2ccccc12.
What is the InChIKey of 1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The InChIKey is XTDAKUMSIZLJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-19-10-15-14-7-2-3-8-16(14)21-17(15)11-20-13-6-4-5-12(18)9-13/h2-9,19H,10-11H2,1H3.
What are the key properties of 1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine has a molecular weight of 285.32 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluorophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62458875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).