1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine

C16H21NO2 — CID 107669295

IUPAC1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1cc(OC)c2oc(C(NC)C3CC3)cc2c1
InChIInChI=1S/C16H21NO2/c1-4-10-7-12-9-13(15(17-2)11-5-6-11)19-16(12)14(8-10)18-3/h7-9,11,15,17H,4-6H2,1-3H3
InChIKeyAJGICPREHYBDJU-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.67
Rot. Bonds5

About 1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine

1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 107669295) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID107669295
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1cc(OC)c2oc(C(NC)C3CC3)cc2c1
InChIInChI=1S/C16H21NO2/c1-4-10-7-12-9-13(15(17-2)11-5-6-11)19-16(12)14(8-10)18-3/h7-9,11,15,17H,4-6H2,1-3H3
InChIKeyAJGICPREHYBDJU-UHFFFAOYSA-N
XLogP3.67
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine (CID 107669295) is 1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine is CCc1cc(OC)c2oc(C(NC)C3CC3)cc2c1.
What is the InChIKey of 1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is AJGICPREHYBDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-10-7-12-9-13(15(17-2)11-5-6-11)19-16(12)14(8-10)18-3/h7-9,11,15,17H,4-6H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine?
1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(5-ethyl-7-methoxy-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 107669295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).