2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol

C13H22ClN3O — CID 62891160

IUPAC2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1nc(NCC)ccc1Cl
InChIInChI=1S/C13H22ClN3O/c1-3-7-17(8-9-18)10-12-11(14)5-6-13(16-12)15-4-2/h5-6,18H,3-4,7-10H2,1-2H3,(H,15,16)
InChIKeyADCGZQLWMZFPMZ-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.37
Rot. Bonds8

About 2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol

2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol (PubChem CID 62891160) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol
PubChem CID62891160
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1nc(NCC)ccc1Cl
InChIInChI=1S/C13H22ClN3O/c1-3-7-17(8-9-18)10-12-11(14)5-6-13(16-12)15-4-2/h5-6,18H,3-4,7-10H2,1-2H3,(H,15,16)
InChIKeyADCGZQLWMZFPMZ-UHFFFAOYSA-N
XLogP2.37
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol?
The IUPAC name of 2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol (CID 62891160) is 2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol.
What is the SMILES notation for 2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol?
The canonical SMILES for 2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol is CCCN(CCO)Cc1nc(NCC)ccc1Cl.
What is the InChIKey of 2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol?
The InChIKey is ADCGZQLWMZFPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-3-7-17(8-9-18)10-12-11(14)5-6-13(16-12)15-4-2/h5-6,18H,3-4,7-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol?
2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol has a molecular weight of 271.79 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol is sourced from PubChem (CID 62891160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).