2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol

C12H19ClN2O — CID 62469822

IUPAC2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1cccnc1Cl
InChIInChI=1S/C12H19ClN2O/c1-2-3-7-15(8-9-16)10-11-5-4-6-14-12(11)13/h4-6,16H,2-3,7-10H2,1H3
InChIKeyPRQMJDQLFBYIHZ-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.33
Rot. Bonds7

About 2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol

2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol (PubChem CID 62469822) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol
PubChem CID62469822
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1cccnc1Cl
InChIInChI=1S/C12H19ClN2O/c1-2-3-7-15(8-9-16)10-11-5-4-6-14-12(11)13/h4-6,16H,2-3,7-10H2,1H3
InChIKeyPRQMJDQLFBYIHZ-UHFFFAOYSA-N
XLogP2.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.33
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-[(2-chloro-3-pyridinyl)methyl-propylamino]ethanol
CID 62470914
2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol
CID 60689529
N-[(2-chloro-3-pyridinyl)methyl]-N-methylbutan-1-amine
CID 62472154
N-[(2-chloro-3-pyridinyl)methyl]-N-ethylpropan-1-amine
CID 62470730
N'-[(2-chloro-3-pyridinyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62469659
N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-1-amine
CID 62471625
2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol
CID 111113631
N-butyl-N-[(2-hydrazinyl-3-pyridinyl)methyl]butan-1-amine
CID 62470497
2-chloro-3-pentylpyridine
CID 54505218
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol
CID 107113234
2-[propyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 62471942
N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 60742751

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol (CID 62469822) is 2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol is CCCCN(CCO)Cc1cccnc1Cl.
What is the InChIKey of 2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol?
The InChIKey is PRQMJDQLFBYIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-2-3-7-15(8-9-16)10-11-5-4-6-14-12(11)13/h4-6,16H,2-3,7-10H2,1H3.
What are the key properties of 2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol?
2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol has a molecular weight of 242.75 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(2-chloro-3-pyridinyl)methyl]amino]ethanol is sourced from PubChem (CID 62469822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).