1-(1-benzofuran-7-yl)propan-2-amine

C11H13NO — CID 10130548

IUPAC1-(1-benzofuran-7-yl)propan-2-amine
SMILESCC(N)Cc1cccc2ccoc12
InChIInChI=1S/C11H13NO/c1-8(12)7-10-4-2-3-9-5-6-13-11(9)10/h2-6,8H,7,12H2,1H3
InChIKeyYVMDMFRZSDUZLK-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.32
Rot. Bonds2

About 1-(1-benzofuran-7-yl)propan-2-amine

1-(1-benzofuran-7-yl)propan-2-amine (PubChem CID 10130548) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-benzofuran-7-yl)propan-2-amine
PubChem CID10130548
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(1-benzofuran-7-yl)propan-2-amine
SMILESCC(N)Cc1cccc2ccoc12
InChIInChI=1S/C11H13NO/c1-8(12)7-10-4-2-3-9-5-6-13-11(9)10/h2-6,8H,7,12H2,1H3
InChIKeyYVMDMFRZSDUZLK-UHFFFAOYSA-N
XLogP2.32
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-7-yl)propan-2-amine?
The IUPAC name of 1-(1-benzofuran-7-yl)propan-2-amine (CID 10130548) is 1-(1-benzofuran-7-yl)propan-2-amine.
What is the SMILES notation for 1-(1-benzofuran-7-yl)propan-2-amine?
The canonical SMILES for 1-(1-benzofuran-7-yl)propan-2-amine is CC(N)Cc1cccc2ccoc12.
What is the InChIKey of 1-(1-benzofuran-7-yl)propan-2-amine?
The InChIKey is YVMDMFRZSDUZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8(12)7-10-4-2-3-9-5-6-13-11(9)10/h2-6,8H,7,12H2,1H3.
What are the key properties of 1-(1-benzofuran-7-yl)propan-2-amine?
1-(1-benzofuran-7-yl)propan-2-amine has a molecular weight of 175.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-7-yl)propan-2-amine is sourced from PubChem (CID 10130548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).