1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine

C12H13ClFNO — CID 116690943

IUPAC1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cc2ccc(Cl)c(F)c2o1
InChIInChI=1S/C12H13ClFNO/c1-3-9(15-2)10-6-7-4-5-8(13)11(14)12(7)16-10/h4-6,9,15H,3H2,1-2H3
InChIKeyANTIRWJJMAAADQ-UHFFFAOYSA-N
MW241.69 g/mol
LogP3.90
Rot. Bonds3

About 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine

1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine (PubChem CID 116690943) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
PubChem CID116690943
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1cc2ccc(Cl)c(F)c2o1
InChIInChI=1S/C12H13ClFNO/c1-3-9(15-2)10-6-7-4-5-8(13)11(14)12(7)16-10/h4-6,9,15H,3H2,1-2H3
InChIKeyANTIRWJJMAAADQ-UHFFFAOYSA-N
XLogP3.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine (CID 116690943) is 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine is CCC(NC)c1cc2ccc(Cl)c(F)c2o1.
What is the InChIKey of 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The InChIKey is ANTIRWJJMAAADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-3-9(15-2)10-6-7-4-5-8(13)11(14)12(7)16-10/h4-6,9,15H,3H2,1-2H3.
What are the key properties of 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine?
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine has a molecular weight of 241.69 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 116690943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).