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

C8H9NO — CID 69305998

IUPAC1,3-dihydro-2-benzofuran-1-amine
SMILESNC1OCc2ccccc21
InChIInChI=1S/C8H9NO/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,8H,5,9H2
InChIKeyIMCVOTNJJZACJT-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.17
Rot. Bonds

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

1,3-dihydro-2-benzofuran-1-amine (PubChem CID 69305998) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-1-amine.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-1-amine
PubChem CID69305998
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name1,3-dihydro-2-benzofuran-1-amine
SMILESNC1OCc2ccccc21
InChIInChI=1S/C8H9NO/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,8H,5,9H2
InChIKeyIMCVOTNJJZACJT-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-1-amine?
The IUPAC name of 1,3-dihydro-2-benzofuran-1-amine (CID 69305998) is 1,3-dihydro-2-benzofuran-1-amine.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-1-amine?
The canonical SMILES for 1,3-dihydro-2-benzofuran-1-amine is NC1OCc2ccccc21.
What is the InChIKey of 1,3-dihydro-2-benzofuran-1-amine?
The InChIKey is IMCVOTNJJZACJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,8H,5,9H2.
What are the key properties of 1,3-dihydro-2-benzofuran-1-amine?
1,3-dihydro-2-benzofuran-1-amine has a molecular weight of 135.17 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-1-amine is sourced from PubChem (CID 69305998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).