4-[[3-(ethylamino)-2-pyridinyl]amino]phenol

C13H15N3O — CID 70162911

IUPAC4-[[3-(ethylamino)-2-pyridinyl]amino]phenol
SMILESCCNc1cccnc1Nc1ccc(O)cc1
InChIInChI=1S/C13H15N3O/c1-2-14-12-4-3-9-15-13(12)16-10-5-7-11(17)8-6-10/h3-9,14,17H,2H2,1H3,(H,15,16)
InChIKeyIZFGSMLWTHYWMA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.96
Rot. Bonds4

About 4-[[3-(ethylamino)-2-pyridinyl]amino]phenol

4-[[3-(ethylamino)-2-pyridinyl]amino]phenol (PubChem CID 70162911) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[[3-(ethylamino)-2-pyridinyl]amino]phenol.

Molecular Properties

Compound Name4-[[3-(ethylamino)-2-pyridinyl]amino]phenol
PubChem CID70162911
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-[[3-(ethylamino)-2-pyridinyl]amino]phenol
SMILESCCNc1cccnc1Nc1ccc(O)cc1
InChIInChI=1S/C13H15N3O/c1-2-14-12-4-3-9-15-13(12)16-10-5-7-11(17)8-6-10/h3-9,14,17H,2H2,1H3,(H,15,16)
InChIKeyIZFGSMLWTHYWMA-UHFFFAOYSA-N
XLogP2.96
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(ethylamino)-2-pyridinyl]amino]phenol?
The IUPAC name of 4-[[3-(ethylamino)-2-pyridinyl]amino]phenol (CID 70162911) is 4-[[3-(ethylamino)-2-pyridinyl]amino]phenol.
What is the SMILES notation for 4-[[3-(ethylamino)-2-pyridinyl]amino]phenol?
The canonical SMILES for 4-[[3-(ethylamino)-2-pyridinyl]amino]phenol is CCNc1cccnc1Nc1ccc(O)cc1.
What is the InChIKey of 4-[[3-(ethylamino)-2-pyridinyl]amino]phenol?
The InChIKey is IZFGSMLWTHYWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-14-12-4-3-9-15-13(12)16-10-5-7-11(17)8-6-10/h3-9,14,17H,2H2,1H3,(H,15,16).
What are the key properties of 4-[[3-(ethylamino)-2-pyridinyl]amino]phenol?
4-[[3-(ethylamino)-2-pyridinyl]amino]phenol has a molecular weight of 229.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(ethylamino)-2-pyridinyl]amino]phenol is sourced from PubChem (CID 70162911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).