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

C15H21N3O2 — CID 63058179

IUPAC2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCOCCNCc1ccccc1OCc1nccn1C
InChIInChI=1S/C15H21N3O2/c1-18-9-7-17-15(18)12-20-14-6-4-3-5-13(14)11-16-8-10-19-2/h3-7,9,16H,8,10-12H2,1-2H3
InChIKeySELLGAHRRUYEDY-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.74
Rot. Bonds8

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

2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 63058179) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID63058179
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCOCCNCc1ccccc1OCc1nccn1C
InChIInChI=1S/C15H21N3O2/c1-18-9-7-17-15(18)12-20-14-6-4-3-5-13(14)11-16-8-10-19-2/h3-7,9,16H,8,10-12H2,1-2H3
InChIKeySELLGAHRRUYEDY-UHFFFAOYSA-N
XLogP1.74
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.74
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-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214849
N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63056352
1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63001857
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 62736402
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 4720382
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
2-methoxy-N-[[2-(2-pyridin-2-ylethoxy)phenyl]methyl]ethanamine
CID 63058176
2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63071959
N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114527122
N-[[5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 107697021
2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83156925

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine (CID 63058179) is 2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine is COCCNCc1ccccc1OCc1nccn1C.
What is the InChIKey of 2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is SELLGAHRRUYEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-9-7-17-15(18)12-20-14-6-4-3-5-13(14)11-16-8-10-19-2/h3-7,9,16H,8,10-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine?
2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 63058179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).