1-(2,3-didehydro-1-benzofuran-5-yl)propan-2-amine

C11H11NO — CID 167068180

IUPAC1-(2,3-didehydro-1-benzofuran-5-yl)propan-2-amine
SMILESCC(N)Cc1ccc2oc#cc2c1
InChIInChI=1S/C11H11NO/c1-8(12)6-9-2-3-11-10(7-9)4-5-13-11/h2-3,7-8H,6,12H2,1H3
InChIKeyMTFCCDFQGBQJJP-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.92
Rot. Bonds2

About 1-(2,3-didehydro-1-benzofuran-5-yl)propan-2-amine

1-(2,3-didehydro-1-benzofuran-5-yl)propan-2-amine (PubChem CID 167068180) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(2,3-didehydro-1-benzofuran-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-didehydro-1-benzofuran-5-yl)propan-2-amine
PubChem CID167068180
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name1-(2,3-didehydro-1-benzofuran-5-yl)propan-2-amine
SMILESCC(N)Cc1ccc2oc#cc2c1
InChIInChI=1S/C11H11NO/c1-8(12)6-9-2-3-11-10(7-9)4-5-13-11/h2-3,7-8H,6,12H2,1H3
InChIKeyMTFCCDFQGBQJJP-UHFFFAOYSA-N
XLogP1.92
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-didehydro-1-benzofuran-5-yl)propan-2-amine?
The IUPAC name of 1-(2,3-didehydro-1-benzofuran-5-yl)propan-2-amine (CID 167068180) is 1-(2,3-didehydro-1-benzofuran-5-yl)propan-2-amine.
What is the SMILES notation for 1-(2,3-didehydro-1-benzofuran-5-yl)propan-2-amine?
The canonical SMILES for 1-(2,3-didehydro-1-benzofuran-5-yl)propan-2-amine is CC(N)Cc1ccc2oc#cc2c1.
What is the InChIKey of 1-(2,3-didehydro-1-benzofuran-5-yl)propan-2-amine?
The InChIKey is MTFCCDFQGBQJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8(12)6-9-2-3-11-10(7-9)4-5-13-11/h2-3,7-8H,6,12H2,1H3.
What are the key properties of 1-(2,3-didehydro-1-benzofuran-5-yl)propan-2-amine?
1-(2,3-didehydro-1-benzofuran-5-yl)propan-2-amine has a molecular weight of 173.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-didehydro-1-benzofuran-5-yl)propan-2-amine is sourced from PubChem (CID 167068180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).