N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine

C17H26N2O — CID 62422585

IUPACN-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine
SMILESCCNCc1oc2ccccc2c1CN(C)CC(C)C
InChIInChI=1S/C17H26N2O/c1-5-18-10-17-15(12-19(4)11-13(2)3)14-8-6-7-9-16(14)20-17/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyRIGWKULKEREHJU-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.63
Rot. Bonds7

About N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine

N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine (PubChem CID 62422585) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine
PubChem CID62422585
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine
SMILESCCNCc1oc2ccccc2c1CN(C)CC(C)C
InChIInChI=1S/C17H26N2O/c1-5-18-10-17-15(12-19(4)11-13(2)3)14-8-6-7-9-16(14)20-17/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyRIGWKULKEREHJU-UHFFFAOYSA-N
XLogP3.63
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-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-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62418759
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-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 115987741
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 63009384
N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62417778
2-[[methyl(2-methylpropyl)amino]methyl]-1-benzofuran-3-carbohydrazide
CID 63574025
1-cyclopropyl-N-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-N-methylethanamine
CID 62434140
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62421073
N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine
CID 62433002
2-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62448586
N-[[3-(methoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55073016

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine (CID 62422585) is N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine is CCNCc1oc2ccccc2c1CN(C)CC(C)C.
What is the InChIKey of N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine?
The InChIKey is RIGWKULKEREHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-18-10-17-15(12-19(4)11-13(2)3)14-8-6-7-9-16(14)20-17/h6-9,13,18H,5,10-12H2,1-4H3.
What are the key properties of N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine?
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 62422585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).