1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine

C16H22N2O — CID 116912387

IUPAC1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCNCC1(C(c2coc3ccccc23)N(C)C)CC1
InChIInChI=1S/C16H22N2O/c1-17-11-16(8-9-16)15(18(2)3)13-10-19-14-7-5-4-6-12(13)14/h4-7,10,15,17H,8-9,11H2,1-3H3
InChIKeyXYUMLHCFBADBFB-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.04
Rot. Bonds5

About 1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine

1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine (PubChem CID 116912387) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
PubChem CID116912387
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCNCC1(C(c2coc3ccccc23)N(C)C)CC1
InChIInChI=1S/C16H22N2O/c1-17-11-16(8-9-16)15(18(2)3)13-10-19-14-7-5-4-6-12(13)14/h4-7,10,15,17H,8-9,11H2,1-3H3
InChIKeyXYUMLHCFBADBFB-UHFFFAOYSA-N
XLogP3.04
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine
CID 116912315
1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 116914687
3-(1-benzofuran-3-yl)-3-(dimethylamino)propanenitrile
CID 116909994
1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 116905955
1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine
CID 116949513
N,N-dimethyl-1-[1-(methylaminomethyl)cyclobutyl]-1-thiophen-2-ylmethanamine
CID 116912556
N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183042
1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914399
1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine
CID 116905700
3-(1-benzofuran-3-yl)-3-(methylamino)propanenitrile
CID 116955216
N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine
CID 115256590
1-[1-benzofuran-3-yl(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958973

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
The IUPAC name of 1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine (CID 116912387) is 1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine is CNCC1(C(c2coc3ccccc23)N(C)C)CC1.
What is the InChIKey of 1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
The InChIKey is XYUMLHCFBADBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17-11-16(8-9-16)15(18(2)3)13-10-19-14-7-5-4-6-12(13)14/h4-7,10,15,17H,8-9,11H2,1-3H3.
What are the key properties of 1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine has a molecular weight of 258.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine is sourced from PubChem (CID 116912387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).