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

C18H26N2O — CID 62431444

IUPACN-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESCCCCN(Cc1oc2ccccc2c1CNC)C1CC1
InChIInChI=1S/C18H26N2O/c1-3-4-11-20(14-9-10-14)13-18-16(12-19-2)15-7-5-6-8-17(15)21-18/h5-8,14,19H,3-4,9-13H2,1-2H3
InChIKeyJXCVQUBRMIJKIA-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.92
Rot. Bonds8

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

N-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine (PubChem CID 62431444) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
PubChem CID62431444
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
SMILESCCCCN(Cc1oc2ccccc2c1CNC)C1CC1
InChIInChI=1S/C18H26N2O/c1-3-4-11-20(14-9-10-14)13-18-16(12-19-2)15-7-5-6-8-17(15)21-18/h5-8,14,19H,3-4,9-13H2,1-2H3
InChIKeyJXCVQUBRMIJKIA-UHFFFAOYSA-N
XLogP3.92
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Analyze N-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

2-[[butyl(cyclopropyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 62273960
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 62430238
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine
CID 62424075
N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 62443561
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine
CID 62438010
N,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine
CID 63964995
N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62422951
1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62444638
2-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62448586
1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62459494
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62421073
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-1-methylsulfanylbutan-2-amine
CID 115987810

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine (CID 62431444) is N-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine is CCCCN(Cc1oc2ccccc2c1CNC)C1CC1.
What is the InChIKey of N-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
The InChIKey is JXCVQUBRMIJKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-4-11-20(14-9-10-14)13-18-16(12-19-2)15-7-5-6-8-17(15)21-18/h5-8,14,19H,3-4,9-13H2,1-2H3.
What are the key properties of N-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine?
N-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine has a molecular weight of 286.42 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62431444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).