1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine

C12H14FNO — CID 104842839

IUPAC1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)oc2ccc(F)cc12
InChIInChI=1S/C12H14FNO/c1-3-9-10-6-8(13)4-5-11(10)15-12(9)7-14-2/h4-6,14H,3,7H2,1-2H3
InChIKeyVYMFHRABYYOADF-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.85
Rot. Bonds3

About 1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine

1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 104842839) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID104842839
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1c(CNC)oc2ccc(F)cc12
InChIInChI=1S/C12H14FNO/c1-3-9-10-6-8(13)4-5-11(10)15-12(9)7-14-2/h4-6,14H,3,7H2,1-2H3
InChIKeyVYMFHRABYYOADF-UHFFFAOYSA-N
XLogP2.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (CID 104842839) is 1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is CCc1c(CNC)oc2ccc(F)cc12.
What is the InChIKey of 1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is VYMFHRABYYOADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-3-9-10-6-8(13)4-5-11(10)15-12(9)7-14-2/h4-6,14H,3,7H2,1-2H3.
What are the key properties of 1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 207.25 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 104842839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).