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

C15H19N3O — CID 79230369

IUPACN-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1CC1COc2ccccc21
InChIInChI=1S/C15H19N3O/c1-2-16-9-15-17-7-8-18(15)10-12-11-19-14-6-4-3-5-13(12)14/h3-8,12,16H,2,9-11H2,1H3
InChIKeyUENVJHFHVTUVHD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.17
Rot. Bonds5

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

N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine (PubChem CID 79230369) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine
PubChem CID79230369
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1CC1COc2ccccc21
InChIInChI=1S/C15H19N3O/c1-2-16-9-15-17-7-8-18(15)10-12-11-19-14-6-4-3-5-13(12)14/h3-8,12,16H,2,9-11H2,1H3
InChIKeyUENVJHFHVTUVHD-UHFFFAOYSA-N
XLogP2.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 104769087
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propylimidazole
CID 104771550
1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 115618961
2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazol-2-yl]ethanamine
CID 104771079
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propan-2-ylimidazol-2-one
CID 116625117
N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 79230189
4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
CID 79229528
[1-(2,3-dihydro-1-benzofuran-3-yl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105262793
1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde
CID 104769066
1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 79226899
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylimidazole
CID 104771549

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine (CID 79230369) is N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine is CCNCc1nccn1CC1COc2ccccc21.
What is the InChIKey of N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine?
The InChIKey is UENVJHFHVTUVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-16-9-15-17-7-8-18(15)10-12-11-19-14-6-4-3-5-13(12)14/h3-8,12,16H,2,9-11H2,1H3.
What are the key properties of N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine?
N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 79230369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).