N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine

C18H26N2O — CID 62424075

IUPACN-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine
SMILESCNCc1c(CN(C)C2CCCCC2)oc2ccccc12
InChIInChI=1S/C18H26N2O/c1-19-12-16-15-10-6-7-11-17(15)21-18(16)13-20(2)14-8-4-3-5-9-14/h6-7,10-11,14,19H,3-5,8-9,12-13H2,1-2H3
InChIKeyWNMNWFMJDZUTMX-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.92
Rot. Bonds5

About N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine

N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine (PubChem CID 62424075) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine
PubChem CID62424075
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine
SMILESCNCc1c(CN(C)C2CCCCC2)oc2ccccc12
InChIInChI=1S/C18H26N2O/c1-19-12-16-15-10-6-7-11-17(15)21-18(16)13-20(2)14-8-4-3-5-9-14/h6-7,10-11,14,19H,3-5,8-9,12-13H2,1-2H3
InChIKeyWNMNWFMJDZUTMX-UHFFFAOYSA-N
XLogP3.92
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62459494
N-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62431444
1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62444638
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 62430238
N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
CID 62424895
N,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine
CID 63964995
N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 62443571
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-1-methylsulfanylbutan-2-amine
CID 115987810
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine
CID 62417780
2-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62448586
N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62417778
N-[(2-ethyl-1-benzofuran-3-yl)methyl]cyclooctanamine
CID 43226088

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine?
The IUPAC name of N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine (CID 62424075) is N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine?
The canonical SMILES for N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine is CNCc1c(CN(C)C2CCCCC2)oc2ccccc12.
What is the InChIKey of N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine?
The InChIKey is WNMNWFMJDZUTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-19-12-16-15-10-6-7-11-17(15)21-18(16)13-20(2)14-8-4-3-5-9-14/h6-7,10-11,14,19H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine?
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine has a molecular weight of 286.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine is sourced from PubChem (CID 62424075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).