2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine

C11H17NO — CID 82409419

IUPAC2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine
SMILESCC(CN)C1CCCc2occc21
InChIInChI=1S/C11H17NO/c1-8(7-12)9-3-2-4-11-10(9)5-6-13-11/h5-6,8-9H,2-4,7,12H2,1H3
InChIKeyPVJFERYEZZWSEC-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.29
Rot. Bonds2

About 2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine

2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine (PubChem CID 82409419) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine
PubChem CID82409419
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine
SMILESCC(CN)C1CCCc2occc21
InChIInChI=1S/C11H17NO/c1-8(7-12)9-3-2-4-11-10(9)5-6-13-11/h5-6,8-9H,2-4,7,12H2,1H3
InChIKeyPVJFERYEZZWSEC-UHFFFAOYSA-N
XLogP2.29
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine (CID 82409419) is 2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine is CC(CN)C1CCCc2occc21.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine?
The InChIKey is PVJFERYEZZWSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(7-12)9-3-2-4-11-10(9)5-6-13-11/h5-6,8-9H,2-4,7,12H2,1H3.
What are the key properties of 2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine?
2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine is sourced from PubChem (CID 82409419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).