2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol

C11H18ClN3O — CID 133480149

IUPAC2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol
SMILESCCN(CCO)CCNc1ccnc(Cl)c1
InChIInChI=1S/C11H18ClN3O/c1-2-15(7-8-16)6-5-13-10-3-4-14-11(12)9-10/h3-4,9,16H,2,5-8H2,1H3,(H,13,14)
InChIKeyOTAXUOWJCOQULM-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.46
Rot. Bonds7

About 2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol

2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol (PubChem CID 133480149) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol
PubChem CID133480149
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol
SMILESCCN(CCO)CCNc1ccnc(Cl)c1
InChIInChI=1S/C11H18ClN3O/c1-2-15(7-8-16)6-5-13-10-3-4-14-11(12)9-10/h3-4,9,16H,2,5-8H2,1H3,(H,13,14)
InChIKeyOTAXUOWJCOQULM-UHFFFAOYSA-N
XLogP1.46
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 83813273
N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 103756417
6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol
CID 103918247
4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114132784
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide
CID 103911721
2-chloro-N-pent-3-ynylpyridin-4-amine
CID 106196309
3-[(2-chloro-4-pyridinyl)amino]propanamide
CID 102824025
2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol
CID 133480173
3-[(2-chloro-4-pyridinyl)methyl-ethylamino]propan-1-ol
CID 115666093
2-chloro-N-(3-propoxypropyl)pyridin-4-amine
CID 102824346
2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol
CID 79244315

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol?
The IUPAC name of 2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol (CID 133480149) is 2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol.
What is the SMILES notation for 2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol?
The canonical SMILES for 2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol is CCN(CCO)CCNc1ccnc(Cl)c1.
What is the InChIKey of 2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol?
The InChIKey is OTAXUOWJCOQULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-2-15(7-8-16)6-5-13-10-3-4-14-11(12)9-10/h3-4,9,16H,2,5-8H2,1H3,(H,13,14).
What are the key properties of 2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol?
2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol has a molecular weight of 243.74 g/mol, XLogP of 1.46, 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-4-pyridinyl)amino]ethyl-ethylamino]ethanol is sourced from PubChem (CID 133480149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).