2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine

C12H14Cl2N4O — CID 166200639

IUPAC2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCn1ccnc1CNCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N4O/c1-18-4-2-16-11(18)8-15-3-5-19-12-10(14)6-9(13)7-17-12/h2,4,6-7,15H,3,5,8H2,1H3
InChIKeyXYJAEZRHQPMANA-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.29
Rot. Bonds6

About 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine

2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 166200639) has the molecular formula C12H14Cl2N4O and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID166200639
Molecular FormulaC12H14Cl2N4O
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCn1ccnc1CNCCOc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N4O/c1-18-4-2-16-11(18)8-15-3-5-19-12-10(14)6-9(13)7-17-12/h2,4,6-7,15H,3,5,8H2,1H3
InChIKeyXYJAEZRHQPMANA-UHFFFAOYSA-N
XLogP2.29
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.29
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

2-(2,4-dichlorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 43088170
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 63295550
2-(4-methoxyphenoxy)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 60697211
3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 60688989
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 167784870
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 79354937
N'-hydroxy-4-[2-[(1-methylimidazol-2-yl)methylamino]ethoxy]benzenecarboximidamide
CID 77029114
4-[2-[(1-methylimidazol-2-yl)methylamino]ethoxy]benzoic acid
CID 103251727
N-[[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63056352
1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 103876204
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 60919035

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine (CID 166200639) is 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine is Cn1ccnc1CNCCOc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is XYJAEZRHQPMANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4O/c1-18-4-2-16-11(18)8-15-3-5-19-12-10(14)6-9(13)7-17-12/h2,4,6-7,15H,3,5,8H2,1H3.
What are the key properties of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 301.18 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 166200639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).