1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine

C11H16N2O — CID 116954398

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
SMILESCNC(NC)c1ccc2c(c1)CCO2
InChIInChI=1S/C11H16N2O/c1-12-11(13-2)9-3-4-10-8(7-9)5-6-14-10/h3-4,7,11-13H,5-6H2,1-2H3
InChIKeyIZGCNFODDZZGGI-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.06
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine (PubChem CID 116954398) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
PubChem CID116954398
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
SMILESCNC(NC)c1ccc2c(c1)CCO2
InChIInChI=1S/C11H16N2O/c1-12-11(13-2)9-3-4-10-8(7-9)5-6-14-10/h3-4,7,11-13H,5-6H2,1-2H3
InChIKeyIZGCNFODDZZGGI-UHFFFAOYSA-N
XLogP1.06
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948140
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43482586
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine
CID 104995435
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105180217
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 104542785
2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 83154976
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954841
2-[2,3-dihydro-1-benzofuran-5-yl(methylamino)methyl]-3-methylbutanenitrile
CID 116960717
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547142
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine
CID 115819330

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine (CID 116954398) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine is CNC(NC)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine?
The InChIKey is IZGCNFODDZZGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-12-11(13-2)9-3-4-10-8(7-9)5-6-14-10/h3-4,7,11-13H,5-6H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine has a molecular weight of 192.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine is sourced from PubChem (CID 116954398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).