2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol

C10H15ClN2O2 — CID 82681883

IUPAC2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1cccnc1Cl
InChIInChI=1S/C10H15ClN2O2/c11-10-9(2-1-3-13-10)8-12-4-6-15-7-5-14/h1-3,12,14H,4-8H2
InChIKeyMKADVPLJXOFHKR-UHFFFAOYSA-N
MW230.69 g/mol
LogP0.83
Rot. Bonds7

About 2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol

2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol (PubChem CID 82681883) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol
PubChem CID82681883
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1cccnc1Cl
InChIInChI=1S/C10H15ClN2O2/c11-10-9(2-1-3-13-10)8-12-4-6-15-7-5-14/h1-3,12,14H,4-8H2
InChIKeyMKADVPLJXOFHKR-UHFFFAOYSA-N
XLogP0.83
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-3-pyridinyl)methylamino]-N-methylpropanamide
CID 115641584
N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 115614135
2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol
CID 102444898
2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol
CID 103992721
2-[[2-(2-hydroxyethoxy)ethylamino]methyl]benzoic acid
CID 17156841
2-[2-[(2-chloro-4-methylphenyl)methylamino]ethoxy]ethanol
CID 106862592
2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol
CID 60689345
N-[(2-chloro-3-pyridinyl)methyl]-2-prop-2-ynylsulfanylethanamine
CID 115642873
2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155290
N-[(2-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639168
2-[2-[(2-bromo-4-chlorophenyl)methylamino]ethoxy]ethanol
CID 81496345
1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine
CID 83303844

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol (CID 82681883) is 2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol is OCCOCCNCc1cccnc1Cl.
What is the InChIKey of 2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol?
The InChIKey is MKADVPLJXOFHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c11-10-9(2-1-3-13-10)8-12-4-6-15-7-5-14/h1-3,12,14H,4-8H2.
What are the key properties of 2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol?
2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol has a molecular weight of 230.69 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-3-pyridinyl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 82681883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).