N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine

C16H19N3O2 — CID 61211468

IUPACN-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCOc1cccc2cc(CNCCc3nccn3C)oc12
InChIInChI=1S/C16H19N3O2/c1-19-9-8-18-15(19)6-7-17-11-13-10-12-4-3-5-14(20-2)16(12)21-13/h3-5,8-10,17H,6-7,11H2,1-2H3
InChIKeyACLLFWCZVWLTOT-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.51
Rot. Bonds6

About N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine

N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 61211468) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID61211468
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCOc1cccc2cc(CNCCc3nccn3C)oc12
InChIInChI=1S/C16H19N3O2/c1-19-9-8-18-15(19)6-7-17-11-13-10-12-4-3-5-14(20-2)16(12)21-13/h3-5,8-10,17H,6-7,11H2,1-2H3
InChIKeyACLLFWCZVWLTOT-UHFFFAOYSA-N
XLogP2.51
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.51
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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Related Compounds

N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396540
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 55410255
2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 64988267
1-(7-methoxy-1-benzofuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305695
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide
CID 43771801
N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 70555736
N-[(5-ethylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 62346002
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214870
4-[(7-methoxy-1-benzofuran-2-yl)methylamino]butanoic acid
CID 60782962
3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60925397

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine (CID 61211468) is N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine is COc1cccc2cc(CNCCc3nccn3C)oc12.
What is the InChIKey of N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is ACLLFWCZVWLTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19-9-8-18-15(19)6-7-17-11-13-10-12-4-3-5-14(20-2)16(12)21-13/h3-5,8-10,17H,6-7,11H2,1-2H3.
What are the key properties of N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 285.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 61211468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).