1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine

C14H17N3O — CID 63742518

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1ccc2c(c1)COC2)c1nccn1C
InChIInChI=1S/C14H17N3O/c1-15-13(14-16-5-6-17(14)2)10-3-4-11-8-18-9-12(11)7-10/h3-7,13,15H,8-9H2,1-2H3
InChIKeyUXIWUVBOMDLBLE-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.76
Rot. Bonds3

About 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine

1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 63742518) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
PubChem CID63742518
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1ccc2c(c1)COC2)c1nccn1C
InChIInChI=1S/C14H17N3O/c1-15-13(14-16-5-6-17(14)2)10-3-4-11-8-18-9-12(11)7-10/h3-7,13,15H,8-9H2,1-2H3
InChIKeyUXIWUVBOMDLBLE-UHFFFAOYSA-N
XLogP1.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308266
1-(3-methoxy-4-methylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316123
N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316328
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 63186146
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837988
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 63020408
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65153328
1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316127
N-methyl-1-(1-methylimidazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144346
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316313
N-methyl-1-(1-methylimidazol-2-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 61315934
1-(2,5-dimethylphenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 61316310

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (CID 63742518) is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is CNC(c1ccc2c(c1)COC2)c1nccn1C.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is UXIWUVBOMDLBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-15-13(14-16-5-6-17(14)2)10-3-4-11-8-18-9-12(11)7-10/h3-7,13,15H,8-9H2,1-2H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 243.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 63742518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).