N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine

C14H19NO2 — CID 81048184

IUPACN-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1oc2ccc(OC)cc2c1C
InChIInChI=1S/C14H19NO2/c1-4-7-15-9-14-10(2)12-8-11(16-3)5-6-13(12)17-14/h5-6,8,15H,4,7,9H2,1-3H3
InChIKeyUHXFDXMXEFEAOK-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.25
Rot. Bonds5

About N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine

N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 81048184) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID81048184
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1oc2ccc(OC)cc2c1C
InChIInChI=1S/C14H19NO2/c1-4-7-15-9-14-10(2)12-8-11(16-3)5-6-13(12)17-14/h5-6,8,15H,4,7,9H2,1-3H3
InChIKeyUHXFDXMXEFEAOK-UHFFFAOYSA-N
XLogP3.25
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 81049006
N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylethane-1,2-diamine
CID 113405179
N-[(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]propan-1-amine
CID 81049200
N-[(5-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 81049277
3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]propan-1-ol
CID 113410126
N-[(5-methoxy-3-propyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 114375304
[2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186892
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282290
(3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine
CID 104708346
N-[(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 81047415
N-[[5-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114375292

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine (CID 81048184) is N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNCc1oc2ccc(OC)cc2c1C.
What is the InChIKey of N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is UHXFDXMXEFEAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-7-15-9-14-10(2)12-8-11(16-3)5-6-13(12)17-14/h5-6,8,15H,4,7,9H2,1-3H3.
What are the key properties of N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 81048184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).