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

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Related Compounds

2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62424272
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine
CID 62421228
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine
CID 62425555
N-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62458588
1-cyclopropyl-N-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-N-methylethanamine
CID 62434140
2-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62448586
2-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477023
N-[[2-(3-methoxypropoxymethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62441095
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62443711
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-1-methylsulfanylbutan-2-amine
CID 115987810
N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62422951

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).