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

C17H26N2O — CID 62423547

IUPACN-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1c(CN(C)C(C)C)oc2ccccc12
InChIInChI=1S/C17H26N2O/c1-12(2)18-10-15-14-8-6-7-9-16(14)20-17(15)11-19(5)13(3)4/h6-9,12-13,18H,10-11H2,1-5H3
InChIKeyRRCUXQDHZYQXOG-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.77
Rot. Bonds6

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

N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine (PubChem CID 62423547) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine
PubChem CID62423547
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1c(CN(C)C(C)C)oc2ccccc12
InChIInChI=1S/C17H26N2O/c1-12(2)18-10-15-14-8-6-7-9-16(14)20-17(15)11-19(5)13(3)4/h6-9,12-13,18H,10-11H2,1-5H3
InChIKeyRRCUXQDHZYQXOG-UHFFFAOYSA-N
XLogP3.77
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine 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 N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine (CID 62423547) is N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine is CC(C)NCc1c(CN(C)C(C)C)oc2ccccc12.
What is the InChIKey of N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine?
The InChIKey is RRCUXQDHZYQXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)18-10-15-14-8-6-7-9-16(14)20-17(15)11-19(5)13(3)4/h6-9,12-13,18H,10-11H2,1-5H3.
What are the key properties of N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine?
N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62423547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).