5-deuterio-2,3-dihydro-1-benzofuran-7-amine

C8H9NO — CID 175816446

IUPAC5-deuterio-2,3-dihydro-1-benzofuran-7-amine
SMILES[2H]c1cc(N)c2c(c1)CCO2
InChIInChI=1S/C8H9NO/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3H,4-5,9H2/i1D
InChIKeyUHHZGSLXPQGPJL-MICDWDOJSA-N
MW136.17 g/mol
LogP1.20
Rot. Bonds

About 5-deuterio-2,3-dihydro-1-benzofuran-7-amine

5-deuterio-2,3-dihydro-1-benzofuran-7-amine (PubChem CID 175816446) has the molecular formula C8H9NO and a molecular weight of 136.17 g/mol. Its IUPAC name is 5-deuterio-2,3-dihydro-1-benzofuran-7-amine.

Molecular Properties

Compound Name5-deuterio-2,3-dihydro-1-benzofuran-7-amine
PubChem CID175816446
Molecular FormulaC8H9NO
Molecular Weight136.17 g/mol
Exact Mass136.07
IUPAC Name5-deuterio-2,3-dihydro-1-benzofuran-7-amine
SMILES[2H]c1cc(N)c2c(c1)CCO2
InChIInChI=1S/C8H9NO/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3H,4-5,9H2/i1D
InChIKeyUHHZGSLXPQGPJL-MICDWDOJSA-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 ≤ 500136.17
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 5-deuterio-2,3-dihydro-1-benzofuran-7-amine?
The IUPAC name of 5-deuterio-2,3-dihydro-1-benzofuran-7-amine (CID 175816446) is 5-deuterio-2,3-dihydro-1-benzofuran-7-amine.
What is the SMILES notation for 5-deuterio-2,3-dihydro-1-benzofuran-7-amine?
The canonical SMILES for 5-deuterio-2,3-dihydro-1-benzofuran-7-amine is [2H]c1cc(N)c2c(c1)CCO2.
What is the InChIKey of 5-deuterio-2,3-dihydro-1-benzofuran-7-amine?
The InChIKey is UHHZGSLXPQGPJL-MICDWDOJSA-N. The full InChI is InChI=1S/C8H9NO/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3H,4-5,9H2/i1D.
What are the key properties of 5-deuterio-2,3-dihydro-1-benzofuran-7-amine?
5-deuterio-2,3-dihydro-1-benzofuran-7-amine has a molecular weight of 136.17 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 5-deuterio-2,3-dihydro-1-benzofuran-7-amine is sourced from PubChem (CID 175816446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).