5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine

C13H19NO2 — CID 115492937

IUPAC5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCCc1ccc2c(c1)C(NOC)CO2
InChIInChI=1S/C13H19NO2/c1-3-4-5-10-6-7-13-11(8-10)12(9-16-13)14-15-2/h6-8,12,14H,3-5,9H2,1-2H3
InChIKeyPNHABCVSHCVANP-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.61
Rot. Bonds5

About 5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine

5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 115492937) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
PubChem CID115492937
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCCCCc1ccc2c(c1)C(NOC)CO2
InChIInChI=1S/C13H19NO2/c1-3-4-5-10-6-7-13-11(8-10)12(9-16-13)14-15-2/h6-8,12,14H,3-5,9H2,1-2H3
InChIKeyPNHABCVSHCVANP-UHFFFAOYSA-N
XLogP2.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine (CID 115492937) is 5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine is CCCCc1ccc2c(c1)C(NOC)CO2.
What is the InChIKey of 5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is PNHABCVSHCVANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-4-5-10-6-7-13-11(8-10)12(9-16-13)14-15-2/h6-8,12,14H,3-5,9H2,1-2H3.
What are the key properties of 5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine?
5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 221.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-methoxy-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 115492937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).