2,3,6,7-tetrahydro-1-benzofuran-6-ylmethanamine

C9H13NO — CID 89418546

IUPAC2,3,6,7-tetrahydro-1-benzofuran-6-ylmethanamine
SMILESNCC1C=CC2=C(C1)OCC2
InChIInChI=1S/C9H13NO/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-2,7H,3-6,10H2
InChIKeyQFLNSTHLEOWYDM-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.20
Rot. Bonds1

About 2,3,6,7-tetrahydro-1-benzofuran-6-ylmethanamine

2,3,6,7-tetrahydro-1-benzofuran-6-ylmethanamine (PubChem CID 89418546) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2,3,6,7-tetrahydro-1-benzofuran-6-ylmethanamine.

Molecular Properties

Compound Name2,3,6,7-tetrahydro-1-benzofuran-6-ylmethanamine
PubChem CID89418546
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2,3,6,7-tetrahydro-1-benzofuran-6-ylmethanamine
SMILESNCC1C=CC2=C(C1)OCC2
InChIInChI=1S/C9H13NO/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-2,7H,3-6,10H2
InChIKeyQFLNSTHLEOWYDM-UHFFFAOYSA-N
XLogP1.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrahydro-1-benzofuran-6-ylmethanamine?
The IUPAC name of 2,3,6,7-tetrahydro-1-benzofuran-6-ylmethanamine (CID 89418546) is 2,3,6,7-tetrahydro-1-benzofuran-6-ylmethanamine.
What is the SMILES notation for 2,3,6,7-tetrahydro-1-benzofuran-6-ylmethanamine?
The canonical SMILES for 2,3,6,7-tetrahydro-1-benzofuran-6-ylmethanamine is NCC1C=CC2=C(C1)OCC2.
What is the InChIKey of 2,3,6,7-tetrahydro-1-benzofuran-6-ylmethanamine?
The InChIKey is QFLNSTHLEOWYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-2,7H,3-6,10H2.
What are the key properties of 2,3,6,7-tetrahydro-1-benzofuran-6-ylmethanamine?
2,3,6,7-tetrahydro-1-benzofuran-6-ylmethanamine has a molecular weight of 151.21 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrahydro-1-benzofuran-6-ylmethanamine is sourced from PubChem (CID 89418546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).