2,3-dihydro-1-benzofuran-5-amine

C8H9NO — CID 3841102

IUPAC2,3-dihydro-1-benzofuran-5-amine
SMILESNc1ccc2c(c1)CCO2
InChIInChI=1S/C8H9NO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4,9H2
InChIKeyYJMADHMYUJFMQE-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.20
Rot. Bonds

About 2,3-dihydro-1-benzofuran-5-amine

2,3-dihydro-1-benzofuran-5-amine (PubChem CID 3841102) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-amine
PubChem CID3841102
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2,3-dihydro-1-benzofuran-5-amine
SMILESNc1ccc2c(c1)CCO2
InChIInChI=1S/C8H9NO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4,9H2
InChIKeyYJMADHMYUJFMQE-UHFFFAOYSA-N
XLogP1.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.20
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 2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-amine (CID 3841102) is 2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-amine is Nc1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is YJMADHMYUJFMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4,9H2.
What are the key properties of 2,3-dihydro-1-benzofuran-5-amine?
2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 135.17 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 3841102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).