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

C11H17ClN2O — CID 79039725

IUPAC2-[(6-chloro-2-pyridinyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cccc(Cl)n1
InChIInChI=1S/C11H17ClN2O/c1-2-6-14(7-8-15)9-10-4-3-5-11(12)13-10/h3-5,15H,2,6-9H2,1H3
InChIKeyAMCNQLWDZXQUCT-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.94
Rot. Bonds6

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

2-[(6-chloro-2-pyridinyl)methyl-propylamino]ethanol (PubChem CID 79039725) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridinyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-2-pyridinyl)methyl-propylamino]ethanol
PubChem CID79039725
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name2-[(6-chloro-2-pyridinyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1cccc(Cl)n1
InChIInChI=1S/C11H17ClN2O/c1-2-6-14(7-8-15)9-10-4-3-5-11(12)13-10/h3-5,15H,2,6-9H2,1H3
InChIKeyAMCNQLWDZXQUCT-UHFFFAOYSA-N
XLogP1.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-chloro-2-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
CID 115665477
2-[(6-methyl-2-pyridinyl)methyl-propylamino]ethanol
CID 78996621
2-[2-hydroxyethyl-[[6-(methylamino)-2-pyridinyl]methyl]amino]ethanol
CID 79243182
2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol
CID 115622576
2-[(2-chloroquinolin-3-yl)methyl-propylamino]ethanol
CID 60692441
N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 63985137
2-[(2-chloro-3-pyridinyl)methyl-propylamino]ethanol
CID 62470914
N-butyl-N-[(6-chloro-2-pyridinyl)methyl]aniline
CID 79241318
N-[(6-chloro-2-pyridinyl)methyl]-N-methylpentan-3-amine
CID 79240734
2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol
CID 62891160
N-[(6-bromo-2-pyridinyl)methyl]-N-propylpentan-1-amine
CID 143966335
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
CID 107113213

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-pyridinyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(6-chloro-2-pyridinyl)methyl-propylamino]ethanol (CID 79039725) is 2-[(6-chloro-2-pyridinyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(6-chloro-2-pyridinyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(6-chloro-2-pyridinyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1cccc(Cl)n1.
What is the InChIKey of 2-[(6-chloro-2-pyridinyl)methyl-propylamino]ethanol?
The InChIKey is AMCNQLWDZXQUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-2-6-14(7-8-15)9-10-4-3-5-11(12)13-10/h3-5,15H,2,6-9H2,1H3.
What are the key properties of 2-[(6-chloro-2-pyridinyl)methyl-propylamino]ethanol?
2-[(6-chloro-2-pyridinyl)methyl-propylamino]ethanol has a molecular weight of 228.72 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-pyridinyl)methyl-propylamino]ethanol is sourced from PubChem (CID 79039725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).