2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol

C11H16Cl2N2O2 — CID 111436382

IUPAC2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H16Cl2N2O2/c1-17-5-3-15(2-4-16)8-9-6-10(12)14-11(13)7-9/h6-7,16H,2-5,8H2,1H3
InChIKeyLSJNKFFHEUTDSO-UHFFFAOYSA-N
MW279.17 g/mol
LogP1.83
Rot. Bonds7

About 2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol

2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol (PubChem CID 111436382) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
PubChem CID111436382
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC Name2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
SMILESCOCCN(CCO)Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H16Cl2N2O2/c1-17-5-3-15(2-4-16)8-9-6-10(12)14-11(13)7-9/h6-7,16H,2-5,8H2,1H3
InChIKeyLSJNKFFHEUTDSO-UHFFFAOYSA-N
XLogP1.83
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 71986659
2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115665477
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 113246452
carbanylium;2-[(1-hydroxypyridin-1-ium-4-yl)methyl-(2-methoxyethyl)amino]ethanol;methane
CID 159154967
2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 111436362
2-[(5-bromo-2-fluorophenyl)methyl-[(2,6-dichloro-4-pyridinyl)methyl]amino]ethanol
CID 56509114
N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 62305635
2-[2-methoxyethyl(naphthalen-1-ylmethyl)amino]ethanol
CID 111103161
2-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 110929495
2-[2-methoxyethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 111103242
2-[1H-imidazol-5-ylmethyl(2-methoxyethyl)amino]ethanol
CID 115882703
2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
CID 82958065

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol?
The IUPAC name of 2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol (CID 111436382) is 2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol is COCCN(CCO)Cc1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol?
The InChIKey is LSJNKFFHEUTDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2/c1-17-5-3-15(2-4-16)8-9-6-10(12)14-11(13)7-9/h6-7,16H,2-5,8H2,1H3.
What are the key properties of 2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol?
2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol has a molecular weight of 279.17 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 111436382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).