2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol

C16H20ClN3O2 — CID 118949100

IUPAC2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol
SMILESCc1ccc(N)cc1-c1cc(Cl)nc(N(CCO)CCO)c1
InChIInChI=1S/C16H20ClN3O2/c1-11-2-3-13(18)10-14(11)12-8-15(17)19-16(9-12)20(4-6-21)5-7-22/h2-3,8-10,21-22H,4-7,18H2,1H3
InChIKeyYIUCODOTGHGABX-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.08
Rot. Bonds6

About 2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol

2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 118949100) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID118949100
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol
SMILESCc1ccc(N)cc1-c1cc(Cl)nc(N(CCO)CCO)c1
InChIInChI=1S/C16H20ClN3O2/c1-11-2-3-13(18)10-14(11)12-8-15(17)19-16(9-12)20(4-6-21)5-7-22/h2-3,8-10,21-22H,4-7,18H2,1H3
InChIKeyYIUCODOTGHGABX-UHFFFAOYSA-N
XLogP2.08
TPSA82.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol (CID 118949100) is 2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol is Cc1ccc(N)cc1-c1cc(Cl)nc(N(CCO)CCO)c1.
What is the InChIKey of 2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is YIUCODOTGHGABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-11-2-3-13(18)10-14(11)12-8-15(17)19-16(9-12)20(4-6-21)5-7-22/h2-3,8-10,21-22H,4-7,18H2,1H3.
What are the key properties of 2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol?
2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 321.81 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 118949100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).