2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine

C14H19N3O2 — CID 60697211

IUPAC2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCOc1ccc(OCCNCc2nccn2C)cc1
InChIInChI=1S/C14H19N3O2/c1-17-9-7-16-14(17)11-15-8-10-19-13-5-3-12(18-2)4-6-13/h3-7,9,15H,8,10-11H2,1-2H3
InChIKeyRRNCJWRHIUSCSI-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.60
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine

2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 60697211) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID60697211
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCOc1ccc(OCCNCc2nccn2C)cc1
InChIInChI=1S/C14H19N3O2/c1-17-9-7-16-14(17)11-15-8-10-19-13-5-3-12(18-2)4-6-13/h3-7,9,15H,8,10-11H2,1-2H3
InChIKeyRRNCJWRHIUSCSI-UHFFFAOYSA-N
XLogP1.60
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.60
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

4-[2-[(1-methylimidazol-2-yl)methylamino]ethoxy]benzoic acid
CID 103251727
N'-hydroxy-4-[2-[(1-methylimidazol-2-yl)methylamino]ethoxy]benzenecarboximidamide
CID 77029114
4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087956
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 63295550
N-[[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527116
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 63002181
3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 60688989
1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 103876204
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 166200639
2,2,2-trifluoro-1-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 75484161

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine (CID 60697211) is 2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine is COc1ccc(OCCNCc2nccn2C)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is RRNCJWRHIUSCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-17-9-7-16-14(17)11-15-8-10-19-13-5-3-12(18-2)4-6-13/h3-7,9,15H,8,10-11H2,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 261.33 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 60697211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).