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

C15H19N3O2 — CID 63094982

IUPAC6-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCn1ccnc1COc1ccc2c(c1)OCC2NC
InChIInChI=1S/C15H19N3O2/c1-3-18-7-6-17-15(18)10-19-11-4-5-12-13(16-2)9-20-14(12)8-11/h4-8,13,16H,3,9-10H2,1-2H3
InChIKeyJSAYQFVZXITBIT-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.13
Rot. Bonds5

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

6-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63094982) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63094982
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCCn1ccnc1COc1ccc2c(c1)OCC2NC
InChIInChI=1S/C15H19N3O2/c1-3-18-7-6-17-15(18)10-19-11-4-5-12-13(16-2)9-20-14(12)8-11/h4-8,13,16H,3,9-10H2,1-2H3
InChIKeyJSAYQFVZXITBIT-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 63094982) is 6-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine is CCn1ccnc1COc1ccc2c(c1)OCC2NC.
What is the InChIKey of 6-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is JSAYQFVZXITBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18-7-6-17-15(18)10-19-11-4-5-12-13(16-2)9-20-14(12)8-11/h4-8,13,16H,3,9-10H2,1-2H3.
What are the key properties of 6-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
6-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 273.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63094982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).