N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine

C17H26N2O2 — CID 63009384

IUPACN-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine
SMILESCCNCc1oc2ccccc2c1CN(C)CCCOC
InChIInChI=1S/C17H26N2O2/c1-4-18-12-17-15(13-19(2)10-7-11-20-3)14-8-5-6-9-16(14)21-17/h5-6,8-9,18H,4,7,10-13H2,1-3H3
InChIKeyXXYCNRKETOYFNR-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.01
Rot. Bonds9

About N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine

N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine (PubChem CID 63009384) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine
PubChem CID63009384
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine
SMILESCCNCc1oc2ccccc2c1CN(C)CCCOC
InChIInChI=1S/C17H26N2O2/c1-4-18-12-17-15(13-19(2)10-7-11-20-3)14-8-5-6-9-16(14)21-17/h5-6,8-9,18H,4,7,10-13H2,1-3H3
InChIKeyXXYCNRKETOYFNR-UHFFFAOYSA-N
XLogP3.01
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62418759
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 115987741
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422585
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine
CID 62433185
N-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62418335
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 63008490
2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol
CID 111439493
2-[[2-methoxyethyl(methyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 62273605
N-[[2-(2-propoxyethoxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 63685145
N-[[2-(3-methoxypropoxymethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62441095
3-methoxy-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 63008845
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine
CID 62438010

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine (CID 63009384) is N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine is CCNCc1oc2ccccc2c1CN(C)CCCOC.
What is the InChIKey of N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine?
The InChIKey is XXYCNRKETOYFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-18-12-17-15(13-19(2)10-7-11-20-3)14-8-5-6-9-16(14)21-17/h5-6,8-9,18H,4,7,10-13H2,1-3H3.
What are the key properties of N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine?
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 63009384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).