2,3,4,5-tetrahydro-1-benzofuran-3-amine

C8H11NO — CID 129116475

IUPAC2,3,4,5-tetrahydro-1-benzofuran-3-amine
SMILESNC1COC2=C1CCC=C2
InChIInChI=1S/C8H11NO/c9-7-5-10-8-4-2-1-3-6(7)8/h2,4,7H,1,3,5,9H2
InChIKeyUVEOXUXKALGBIZ-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.95
Rot. Bonds

About 2,3,4,5-tetrahydro-1-benzofuran-3-amine

2,3,4,5-tetrahydro-1-benzofuran-3-amine (PubChem CID 129116475) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1-benzofuran-3-amine
PubChem CID129116475
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2,3,4,5-tetrahydro-1-benzofuran-3-amine
SMILESNC1COC2=C1CCC=C2
InChIInChI=1S/C8H11NO/c9-7-5-10-8-4-2-1-3-6(7)8/h2,4,7H,1,3,5,9H2
InChIKeyUVEOXUXKALGBIZ-UHFFFAOYSA-N
XLogP0.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1-benzofuran-3-amine?
The IUPAC name of 2,3,4,5-tetrahydro-1-benzofuran-3-amine (CID 129116475) is 2,3,4,5-tetrahydro-1-benzofuran-3-amine.
What is the SMILES notation for 2,3,4,5-tetrahydro-1-benzofuran-3-amine?
The canonical SMILES for 2,3,4,5-tetrahydro-1-benzofuran-3-amine is NC1COC2=C1CCC=C2.
What is the InChIKey of 2,3,4,5-tetrahydro-1-benzofuran-3-amine?
The InChIKey is UVEOXUXKALGBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c9-7-5-10-8-4-2-1-3-6(7)8/h2,4,7H,1,3,5,9H2.
What are the key properties of 2,3,4,5-tetrahydro-1-benzofuran-3-amine?
2,3,4,5-tetrahydro-1-benzofuran-3-amine has a molecular weight of 137.18 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1-benzofuran-3-amine is sourced from PubChem (CID 129116475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).