1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine

C12H14FNO — CID 102990740

IUPAC1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNCc1oc2c(C)ccc(F)c2c1C
InChIInChI=1S/C12H14FNO/c1-7-4-5-9(13)11-8(2)10(6-14-3)15-12(7)11/h4-5,14H,6H2,1-3H3
InChIKeyFFEJDMOARJOTDR-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.91
Rot. Bonds2

About 1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine

1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 102990740) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID102990740
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNCc1oc2c(C)ccc(F)c2c1C
InChIInChI=1S/C12H14FNO/c1-7-4-5-9(13)11-8(2)10(6-14-3)15-12(7)11/h4-5,14H,6H2,1-3H3
InChIKeyFFEJDMOARJOTDR-UHFFFAOYSA-N
XLogP2.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine (CID 102990740) is 1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine is CNCc1oc2c(C)ccc(F)c2c1C.
What is the InChIKey of 1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is FFEJDMOARJOTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-7-4-5-9(13)11-8(2)10(6-14-3)15-12(7)11/h4-5,14H,6H2,1-3H3.
What are the key properties of 1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine?
1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 207.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3,7-dimethyl-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 102990740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).