N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine

C16H21N3O2 — CID 106720600

IUPACN-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cn(CC2Cc3ccccc3O2)cn1
InChIInChI=1S/C16H21N3O2/c1-20-7-6-17-9-14-10-19(12-18-14)11-15-8-13-4-2-3-5-16(13)21-15/h2-5,10,12,15,17H,6-9,11H2,1H3
InChIKeyREFDIIMZQQFMOC-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.62
Rot. Bonds7

About N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine

N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 106720600) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID106720600
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cn(CC2Cc3ccccc3O2)cn1
InChIInChI=1S/C16H21N3O2/c1-20-7-6-17-9-14-10-19(12-18-14)11-15-8-13-4-2-3-5-16(13)21-15/h2-5,10,12,15,17H,6-9,11H2,1H3
InChIKeyREFDIIMZQQFMOC-UHFFFAOYSA-N
XLogP1.62
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine (CID 106720600) is N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cn(CC2Cc3ccccc3O2)cn1.
What is the InChIKey of N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is REFDIIMZQQFMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-7-6-17-9-14-10-19(12-18-14)11-15-8-13-4-2-3-5-16(13)21-15/h2-5,10,12,15,17H,6-9,11H2,1H3.
What are the key properties of N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine?
N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 287.36 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 106720600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).