4,5,6,7-tetrahydro-1-benzofuran-4-amine

C8H11NO — CID 18525171

IUPAC4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESNC1CCCc2occc21
InChIInChI=1S/C8H11NO/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5,7H,1-3,9H2
InChIKeyUDDVUZXMEMNBBT-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.62
Rot. Bonds

About 4,5,6,7-tetrahydro-1-benzofuran-4-amine

4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 18525171) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID18525171
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESNC1CCCc2occc21
InChIInChI=1S/C8H11NO/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5,7H,1-3,9H2
InChIKeyUDDVUZXMEMNBBT-UHFFFAOYSA-N
XLogP1.62
TPSA39.16 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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of 4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 18525171) is 4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for 4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for 4,5,6,7-tetrahydro-1-benzofuran-4-amine is NC1CCCc2occc21.
What is the InChIKey of 4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is UDDVUZXMEMNBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5,7H,1-3,9H2.
What are the key properties of 4,5,6,7-tetrahydro-1-benzofuran-4-amine?
4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 137.18 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 18525171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).