4-propoxy-1-benzofuran-6-amine

C11H13NO2 — CID 102537656

IUPAC4-propoxy-1-benzofuran-6-amine
SMILESCCCOc1cc(N)cc2occc12
InChIInChI=1S/C11H13NO2/c1-2-4-13-10-6-8(12)7-11-9(10)3-5-14-11/h3,5-7H,2,4,12H2,1H3
InChIKeyZBKVBNYLZGRIPC-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.80
Rot. Bonds3

About 4-propoxy-1-benzofuran-6-amine

4-propoxy-1-benzofuran-6-amine (PubChem CID 102537656) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-propoxy-1-benzofuran-6-amine.

Molecular Properties

Compound Name4-propoxy-1-benzofuran-6-amine
PubChem CID102537656
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-propoxy-1-benzofuran-6-amine
SMILESCCCOc1cc(N)cc2occc12
InChIInChI=1S/C11H13NO2/c1-2-4-13-10-6-8(12)7-11-9(10)3-5-14-11/h3,5-7H,2,4,12H2,1H3
InChIKeyZBKVBNYLZGRIPC-UHFFFAOYSA-N
XLogP2.80
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.80
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

4-(2-ethoxyethoxy)-1-benzofuran-6-carboxylic acid
CID 102537138
4-propoxyfuro[3,2-g]chromen-7-one
CID 86101667
4-propoxybenzene-1,3-diamine
CID 69462115
1,2,3,4,5-pentapropoxybenzene
CID 91365553
2,3,6,7,10,11-hexapropoxytriphenylene
CID 15531608
ethyl 3-oxo-3-[4-(4-phenoxybutoxy)-6-propoxy-1-benzofuran-5-yl]propanoate
CID 143652315
4-(3,4-dipropoxyphenyl)aniline
CID 61026286
3,4,5-tris(3-aminopropoxy)aniline
CID 69014315
4-methyl-2-propoxyaniline
CID 24698653
7-[(E)-2-phenylethenyl]-4-propoxyfuro[3,2-g]chromen-5-one
CID 10593671
3-hexoxy-4-iodoaniline
CID 139793985
4-ethoxynaphthalen-2-amine
CID 57115135

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-1-benzofuran-6-amine?
The IUPAC name of 4-propoxy-1-benzofuran-6-amine (CID 102537656) is 4-propoxy-1-benzofuran-6-amine.
What is the SMILES notation for 4-propoxy-1-benzofuran-6-amine?
The canonical SMILES for 4-propoxy-1-benzofuran-6-amine is CCCOc1cc(N)cc2occc12.
What is the InChIKey of 4-propoxy-1-benzofuran-6-amine?
The InChIKey is ZBKVBNYLZGRIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-4-13-10-6-8(12)7-11-9(10)3-5-14-11/h3,5-7H,2,4,12H2,1H3.
What are the key properties of 4-propoxy-1-benzofuran-6-amine?
4-propoxy-1-benzofuran-6-amine has a molecular weight of 191.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-1-benzofuran-6-amine is sourced from PubChem (CID 102537656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).