1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine

C11H14FNO — CID 83907816

IUPAC1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
SMILESCNCC1c2cccc(F)c2OC1C
InChIInChI=1S/C11H14FNO/c1-7-9(6-13-2)8-4-3-5-10(12)11(8)14-7/h3-5,7,9,13H,6H2,1-2H3
InChIKeyCJBRPWLDZIXQKK-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.91
Rot. Bonds2

About 1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine

1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine (PubChem CID 83907816) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
PubChem CID83907816
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
SMILESCNCC1c2cccc(F)c2OC1C
InChIInChI=1S/C11H14FNO/c1-7-9(6-13-2)8-4-3-5-10(12)11(8)14-7/h3-5,7,9,13H,6H2,1-2H3
InChIKeyCJBRPWLDZIXQKK-UHFFFAOYSA-N
XLogP1.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine (CID 83907816) is 1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine is CNCC1c2cccc(F)c2OC1C.
What is the InChIKey of 1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine?
The InChIKey is CJBRPWLDZIXQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7-9(6-13-2)8-4-3-5-10(12)11(8)14-7/h3-5,7,9,13H,6H2,1-2H3.
What are the key properties of 1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine?
1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine has a molecular weight of 195.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 83907816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).