5-propan-2-yl-1-benzofuran-7-amine

C11H13NO — CID 146232668

IUPAC5-propan-2-yl-1-benzofuran-7-amine
SMILESCC(C)c1cc(N)c2occc2c1
InChIInChI=1S/C11H13NO/c1-7(2)9-5-8-3-4-13-11(8)10(12)6-9/h3-7H,12H2,1-2H3
InChIKeyYVRTUJHWVQXPCJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.14
Rot. Bonds1

About 5-propan-2-yl-1-benzofuran-7-amine

5-propan-2-yl-1-benzofuran-7-amine (PubChem CID 146232668) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-propan-2-yl-1-benzofuran-7-amine.

Molecular Properties

Compound Name5-propan-2-yl-1-benzofuran-7-amine
PubChem CID146232668
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5-propan-2-yl-1-benzofuran-7-amine
SMILESCC(C)c1cc(N)c2occc2c1
InChIInChI=1S/C11H13NO/c1-7(2)9-5-8-3-4-13-11(8)10(12)6-9/h3-7H,12H2,1-2H3
InChIKeyYVRTUJHWVQXPCJ-UHFFFAOYSA-N
XLogP3.14
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-benzofuran-7-amine?
The IUPAC name of 5-propan-2-yl-1-benzofuran-7-amine (CID 146232668) is 5-propan-2-yl-1-benzofuran-7-amine.
What is the SMILES notation for 5-propan-2-yl-1-benzofuran-7-amine?
The canonical SMILES for 5-propan-2-yl-1-benzofuran-7-amine is CC(C)c1cc(N)c2occc2c1.
What is the InChIKey of 5-propan-2-yl-1-benzofuran-7-amine?
The InChIKey is YVRTUJHWVQXPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7(2)9-5-8-3-4-13-11(8)10(12)6-9/h3-7H,12H2,1-2H3.
What are the key properties of 5-propan-2-yl-1-benzofuran-7-amine?
5-propan-2-yl-1-benzofuran-7-amine has a molecular weight of 175.23 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-benzofuran-7-amine is sourced from PubChem (CID 146232668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).