N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine

C15H19N3O2 — CID 63094974

IUPACN-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2cc(OCCn3ccnc3C)ccc21
InChIInChI=1S/C15H19N3O2/c1-11-17-5-6-18(11)7-8-19-12-3-4-13-14(16-2)10-20-15(13)9-12/h3-6,9,14,16H,7-8,10H2,1-2H3
InChIKeyOVPFHONTTVLQPW-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.92
Rot. Bonds5

About N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine

N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63094974) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63094974
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2cc(OCCn3ccnc3C)ccc21
InChIInChI=1S/C15H19N3O2/c1-11-17-5-6-18(11)7-8-19-12-3-4-13-14(16-2)10-20-15(13)9-12/h3-6,9,14,16H,7-8,10H2,1-2H3
InChIKeyOVPFHONTTVLQPW-UHFFFAOYSA-N
XLogP1.92
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine (CID 63094974) is N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine is CNC1COc2cc(OCCn3ccnc3C)ccc21.
What is the InChIKey of N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is OVPFHONTTVLQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-17-5-6-18(11)7-8-19-12-3-4-13-14(16-2)10-20-15(13)9-12/h3-6,9,14,16H,7-8,10H2,1-2H3.
What are the key properties of N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine?
N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 273.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63094974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).