2-[[6-(4-phenoxyanilino)-2-pyridinyl]amino]ethanol

C19H19N3O2 — CID 53261255

IUPAC2-[[6-(4-phenoxyanilino)-2-pyridinyl]amino]ethanol
SMILESOCCNc1cccc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C19H19N3O2/c23-14-13-20-18-7-4-8-19(22-18)21-15-9-11-17(12-10-15)24-16-5-2-1-3-6-16/h1-12,23H,13-14H2,(H2,20,21,22)
InChIKeyDBMIIWXZNAPXBH-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.02
Rot. Bonds7

About 2-[[6-(4-phenoxyanilino)-2-pyridinyl]amino]ethanol

2-[[6-(4-phenoxyanilino)-2-pyridinyl]amino]ethanol (PubChem CID 53261255) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[[6-(4-phenoxyanilino)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(4-phenoxyanilino)-2-pyridinyl]amino]ethanol
PubChem CID53261255
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-[[6-(4-phenoxyanilino)-2-pyridinyl]amino]ethanol
SMILESOCCNc1cccc(Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C19H19N3O2/c23-14-13-20-18-7-4-8-19(22-18)21-15-9-11-17(12-10-15)24-16-5-2-1-3-6-16/h1-12,23H,13-14H2,(H2,20,21,22)
InChIKeyDBMIIWXZNAPXBH-UHFFFAOYSA-N
XLogP4.02
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-phenoxyanilino)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[6-(4-phenoxyanilino)-2-pyridinyl]amino]ethanol (CID 53261255) is 2-[[6-(4-phenoxyanilino)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[6-(4-phenoxyanilino)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[6-(4-phenoxyanilino)-2-pyridinyl]amino]ethanol is OCCNc1cccc(Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 2-[[6-(4-phenoxyanilino)-2-pyridinyl]amino]ethanol?
The InChIKey is DBMIIWXZNAPXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-14-13-20-18-7-4-8-19(22-18)21-15-9-11-17(12-10-15)24-16-5-2-1-3-6-16/h1-12,23H,13-14H2,(H2,20,21,22).
What are the key properties of 2-[[6-(4-phenoxyanilino)-2-pyridinyl]amino]ethanol?
2-[[6-(4-phenoxyanilino)-2-pyridinyl]amino]ethanol has a molecular weight of 321.38 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-phenoxyanilino)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 53261255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).