4-[2-[methyl(pyridin-4-yl)amino]ethyl]benzene-1,2-diol

C14H16N2O2 — CID 53308664

IUPAC4-[2-[methyl(pyridin-4-yl)amino]ethyl]benzene-1,2-diol
SMILESCN(CCc1ccc(O)c(O)c1)c1ccncc1
InChIInChI=1S/C14H16N2O2/c1-16(12-4-7-15-8-5-12)9-6-11-2-3-13(17)14(18)10-11/h2-5,7-8,10,17-18H,6,9H2,1H3
InChIKeyWRMJASSGYBNTQP-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.17
Rot. Bonds4

About 4-[2-[methyl(pyridin-4-yl)amino]ethyl]benzene-1,2-diol

4-[2-[methyl(pyridin-4-yl)amino]ethyl]benzene-1,2-diol (PubChem CID 53308664) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[2-[methyl(pyridin-4-yl)amino]ethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-[methyl(pyridin-4-yl)amino]ethyl]benzene-1,2-diol
PubChem CID53308664
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-[2-[methyl(pyridin-4-yl)amino]ethyl]benzene-1,2-diol
SMILESCN(CCc1ccc(O)c(O)c1)c1ccncc1
InChIInChI=1S/C14H16N2O2/c1-16(12-4-7-15-8-5-12)9-6-11-2-3-13(17)14(18)10-11/h2-5,7-8,10,17-18H,6,9H2,1H3
InChIKeyWRMJASSGYBNTQP-UHFFFAOYSA-N
XLogP2.17
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-[2-[methyl(pyridin-4-yl)amino]ethyl]benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(pyridin-4-yl)amino]ethyl]benzene-1,2-diol?
The IUPAC name of 4-[2-[methyl(pyridin-4-yl)amino]ethyl]benzene-1,2-diol (CID 53308664) is 4-[2-[methyl(pyridin-4-yl)amino]ethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-[methyl(pyridin-4-yl)amino]ethyl]benzene-1,2-diol?
The canonical SMILES for 4-[2-[methyl(pyridin-4-yl)amino]ethyl]benzene-1,2-diol is CN(CCc1ccc(O)c(O)c1)c1ccncc1.
What is the InChIKey of 4-[2-[methyl(pyridin-4-yl)amino]ethyl]benzene-1,2-diol?
The InChIKey is WRMJASSGYBNTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16(12-4-7-15-8-5-12)9-6-11-2-3-13(17)14(18)10-11/h2-5,7-8,10,17-18H,6,9H2,1H3.
What are the key properties of 4-[2-[methyl(pyridin-4-yl)amino]ethyl]benzene-1,2-diol?
4-[2-[methyl(pyridin-4-yl)amino]ethyl]benzene-1,2-diol has a molecular weight of 244.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(pyridin-4-yl)amino]ethyl]benzene-1,2-diol is sourced from PubChem (CID 53308664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).