N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine

C17H26N2O — CID 62433002

IUPACN,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine
SMILESCNCc1oc2ccccc2c1CN(C)C(C)C(C)C
InChIInChI=1S/C17H26N2O/c1-12(2)13(3)19(5)11-15-14-8-6-7-9-16(14)20-17(15)10-18-4/h6-9,12-13,18H,10-11H2,1-5H3
InChIKeyIMDQMSOSJSVNNI-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.63
Rot. Bonds6

About N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine

N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine (PubChem CID 62433002) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine
PubChem CID62433002
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine
SMILESCNCc1oc2ccccc2c1CN(C)C(C)C(C)C
InChIInChI=1S/C17H26N2O/c1-12(2)13(3)19(5)11-15-14-8-6-7-9-16(14)20-17(15)10-18-4/h6-9,12-13,18H,10-11H2,1-5H3
InChIKeyIMDQMSOSJSVNNI-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine
CID 62433185
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62421073
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine
CID 62438010
2-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62448586
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine
CID 62425555
N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457094
N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62423547
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-1-methylsulfanylbutan-2-amine
CID 115987810
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-2-propan-2-yloxyethanamine
CID 81064362
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422585
N,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 62431751
N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62418759

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine?
The IUPAC name of N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine (CID 62433002) is N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine.
What is the SMILES notation for N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine?
The canonical SMILES for N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine is CNCc1oc2ccccc2c1CN(C)C(C)C(C)C.
What is the InChIKey of N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine?
The InChIKey is IMDQMSOSJSVNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)13(3)19(5)11-15-14-8-6-7-9-16(14)20-17(15)10-18-4/h6-9,12-13,18H,10-11H2,1-5H3.
What are the key properties of N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine?
N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine is sourced from PubChem (CID 62433002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).