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

C17H26N2O — CID 63964995

IUPACN,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine
SMILESCCC(C)(C)N(C)Cc1oc2ccccc2c1CNC
InChIInChI=1S/C17H26N2O/c1-6-17(2,3)19(5)12-16-14(11-18-4)13-9-7-8-10-15(13)20-16/h7-10,18H,6,11-12H2,1-5H3
InChIKeyWZMKCFNOOJQJSW-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.77
Rot. Bonds6

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

N,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine (PubChem CID 63964995) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine
PubChem CID63964995
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine
SMILESCCC(C)(C)N(C)Cc1oc2ccccc2c1CNC
InChIInChI=1S/C17H26N2O/c1-6-17(2,3)19(5)12-16-14(11-18-4)13-9-7-8-10-15(13)20-16/h7-10,18H,6,11-12H2,1-5H3
InChIKeyWZMKCFNOOJQJSW-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

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Related Compounds

2-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62448586
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine
CID 62424075
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-1-methylsulfanylbutan-2-amine
CID 115987810
3-[[methyl(2-methylbutan-2-yl)amino]methyl]-1-benzofuran-2-carbohydrazide
CID 63959061
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-2-propan-2-yloxyethanamine
CID 81064362
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 62430238
N-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62431444
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine
CID 62438010
2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62424272
1-[2-(3,3-dimethylbutoxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 66227085
N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine
CID 62433002
N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
CID 62424895

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine?
The IUPAC name of N,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine (CID 63964995) is N,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine?
The canonical SMILES for N,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine is CCC(C)(C)N(C)Cc1oc2ccccc2c1CNC.
What is the InChIKey of N,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine?
The InChIKey is WZMKCFNOOJQJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-6-17(2,3)19(5)12-16-14(11-18-4)13-9-7-8-10-15(13)20-16/h7-10,18H,6,11-12H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine?
N,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-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-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 63964995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).