5-methyl-1,10-phenanthrolin-2-amine

C13H11N3 — CID 121279009

IUPAC5-methyl-1,10-phenanthrolin-2-amine
SMILESCc1cc2cccnc2c2nc(N)ccc12
InChIInChI=1S/C13H11N3/c1-8-7-9-3-2-6-15-12(9)13-10(8)4-5-11(14)16-13/h2-7H,1H3,(H2,14,16)
InChIKeyPCQZOLYTWIDDLC-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.67
Rot. Bonds

About 5-methyl-1,10-phenanthrolin-2-amine

5-methyl-1,10-phenanthrolin-2-amine (PubChem CID 121279009) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-methyl-1,10-phenanthrolin-2-amine.

Molecular Properties

Compound Name5-methyl-1,10-phenanthrolin-2-amine
PubChem CID121279009
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name5-methyl-1,10-phenanthrolin-2-amine
SMILESCc1cc2cccnc2c2nc(N)ccc12
InChIInChI=1S/C13H11N3/c1-8-7-9-3-2-6-15-12(9)13-10(8)4-5-11(14)16-13/h2-7H,1H3,(H2,14,16)
InChIKeyPCQZOLYTWIDDLC-UHFFFAOYSA-N
XLogP2.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,10-phenanthrolin-2-amine?
The IUPAC name of 5-methyl-1,10-phenanthrolin-2-amine (CID 121279009) is 5-methyl-1,10-phenanthrolin-2-amine.
What is the SMILES notation for 5-methyl-1,10-phenanthrolin-2-amine?
The canonical SMILES for 5-methyl-1,10-phenanthrolin-2-amine is Cc1cc2cccnc2c2nc(N)ccc12.
What is the InChIKey of 5-methyl-1,10-phenanthrolin-2-amine?
The InChIKey is PCQZOLYTWIDDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-8-7-9-3-2-6-15-12(9)13-10(8)4-5-11(14)16-13/h2-7H,1H3,(H2,14,16).
What are the key properties of 5-methyl-1,10-phenanthrolin-2-amine?
5-methyl-1,10-phenanthrolin-2-amine has a molecular weight of 209.25 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,10-phenanthrolin-2-amine is sourced from PubChem (CID 121279009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).