1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-2-amine

C12H17NO — CID 112500533

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C12H17NO/c1-9(13-2)7-10-3-4-12-11(8-10)5-6-14-12/h3-4,8-9,13H,5-7H2,1-2H3
InChIKeyPLQTZOCLUHHCOI-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.77
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-2-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-2-amine (PubChem CID 112500533) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-2-amine
PubChem CID112500533
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C12H17NO/c1-9(13-2)7-10-3-4-12-11(8-10)5-6-14-12/h3-4,8-9,13H,5-7H2,1-2H3
InChIKeyPLQTZOCLUHHCOI-UHFFFAOYSA-N
XLogP1.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-2-amine (CID 112500533) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-2-amine is CNC(C)Cc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-2-amine?
The InChIKey is PLQTZOCLUHHCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(13-2)7-10-3-4-12-11(8-10)5-6-14-12/h3-4,8-9,13H,5-7H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-2-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-2-amine has a molecular weight of 191.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 112500533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).