1-(1-benzofuran-3-yl)-N-methylpropan-2-amine

C12H15NO — CID 117194718

IUPAC1-(1-benzofuran-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1coc2ccccc12
InChIInChI=1S/C12H15NO/c1-9(13-2)7-10-8-14-12-6-4-3-5-11(10)12/h3-6,8-9,13H,7H2,1-2H3
InChIKeyOXFJYZXSCAARMC-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.58
Rot. Bonds3

About 1-(1-benzofuran-3-yl)-N-methylpropan-2-amine

1-(1-benzofuran-3-yl)-N-methylpropan-2-amine (PubChem CID 117194718) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-N-methylpropan-2-amine
PubChem CID117194718
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(1-benzofuran-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1coc2ccccc12
InChIInChI=1S/C12H15NO/c1-9(13-2)7-10-8-14-12-6-4-3-5-11(10)12/h3-6,8-9,13H,7H2,1-2H3
InChIKeyOXFJYZXSCAARMC-UHFFFAOYSA-N
XLogP2.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1-benzofuran-3-yl)-N-methylpropan-2-amine (CID 117194718) is 1-(1-benzofuran-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-N-methylpropan-2-amine is CNC(C)Cc1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-N-methylpropan-2-amine?
The InChIKey is OXFJYZXSCAARMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(13-2)7-10-8-14-12-6-4-3-5-11(10)12/h3-6,8-9,13H,7H2,1-2H3.
What are the key properties of 1-(1-benzofuran-3-yl)-N-methylpropan-2-amine?
1-(1-benzofuran-3-yl)-N-methylpropan-2-amine has a molecular weight of 189.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117194718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).