5-methoxy-1-benzofuran-4-amine

C9H9NO2 — CID 82373036

IUPAC5-methoxy-1-benzofuran-4-amine
SMILESCOc1ccc2occc2c1N
InChIInChI=1S/C9H9NO2/c1-11-8-3-2-7-6(9(8)10)4-5-12-7/h2-5H,10H2,1H3
InChIKeyZTOPQUNVTRDPBC-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.02
Rot. Bonds1

About 5-methoxy-1-benzofuran-4-amine

5-methoxy-1-benzofuran-4-amine (PubChem CID 82373036) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-methoxy-1-benzofuran-4-amine.

Molecular Properties

Compound Name5-methoxy-1-benzofuran-4-amine
PubChem CID82373036
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name5-methoxy-1-benzofuran-4-amine
SMILESCOc1ccc2occc2c1N
InChIInChI=1S/C9H9NO2/c1-11-8-3-2-7-6(9(8)10)4-5-12-7/h2-5H,10H2,1H3
InChIKeyZTOPQUNVTRDPBC-UHFFFAOYSA-N
XLogP2.02
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-1,2-benzoxazol-4-amine
CID 117109992
4-methoxy-5-methyl-1-benzofuran
CID 22940027
8-amino-7-methoxychromen-4-one
CID 10352531
3-methoxyfuran-2-amine
CID 69333703
4-amino-1-benzofuran-5-carbaldehyde
CID 82415504
1-(7-methoxy-1-benzofuran-4-yl)propan-2-amine
CID 117293594
7-iodo-4-methoxy-1-benzofuran
CID 166610141
2,7-dimethoxynaphthalene-1,8-diamine
CID 12868710
2,6-dimethoxyaniline;ethane
CID 145233133
2,3-diamino-4-methoxyphenol
CID 70465216
6-bromo-2-methoxynaphthalen-1-amine
CID 54370275
5-methoxy-1H-indazol-4-amine
CID 76845989

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-benzofuran-4-amine?
The IUPAC name of 5-methoxy-1-benzofuran-4-amine (CID 82373036) is 5-methoxy-1-benzofuran-4-amine.
What is the SMILES notation for 5-methoxy-1-benzofuran-4-amine?
The canonical SMILES for 5-methoxy-1-benzofuran-4-amine is COc1ccc2occc2c1N.
What is the InChIKey of 5-methoxy-1-benzofuran-4-amine?
The InChIKey is ZTOPQUNVTRDPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-11-8-3-2-7-6(9(8)10)4-5-12-7/h2-5H,10H2,1H3.
What are the key properties of 5-methoxy-1-benzofuran-4-amine?
5-methoxy-1-benzofuran-4-amine has a molecular weight of 163.18 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-benzofuran-4-amine is sourced from PubChem (CID 82373036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).