3-methyl-1,7-phenanthrolin-2-amine

C13H11N3 — CID 63231728

IUPAC3-methyl-1,7-phenanthrolin-2-amine
SMILESCc1cc2ccc3ncccc3c2nc1N
InChIInChI=1S/C13H11N3/c1-8-7-9-4-5-11-10(3-2-6-15-11)12(9)16-13(8)14/h2-7H,1H3,(H2,14,16)
InChIKeyQZCDJPBYAOHLDB-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.67
Rot. Bonds

About 3-methyl-1,7-phenanthrolin-2-amine

3-methyl-1,7-phenanthrolin-2-amine (PubChem CID 63231728) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-methyl-1,7-phenanthrolin-2-amine.

Molecular Properties

Compound Name3-methyl-1,7-phenanthrolin-2-amine
PubChem CID63231728
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name3-methyl-1,7-phenanthrolin-2-amine
SMILESCc1cc2ccc3ncccc3c2nc1N
InChIInChI=1S/C13H11N3/c1-8-7-9-4-5-11-10(3-2-6-15-11)12(9)16-13(8)14/h2-7H,1H3,(H2,14,16)
InChIKeyQZCDJPBYAOHLDB-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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Related Compounds

benzo[b][1,7]phenanthrolin-10-amine
CID 10332108
3-methyl-N-propyl-1,7-phenanthrolin-2-amine
CID 63231772
3-methyl-1,5-naphthyridin-2-amine
CID 30484461
methanol;1,7-phenanthroline
CID 174496893
3-methyl-1,8-naphthyridin-2-amine
CID 89289464
7,8-difluoro-3-methylquinolin-2-amine
CID 63232819
1,7-phenanthrolin-2-amine;bis(2-pyridin-2-ylpyridine)
CID 175508465
1,7-phenanthroline;dihydrochloride
CID 174688507
1,7-phenanthroline;vanadium
CID 174318955
3,7,8-trimethylquinolin-2-amine;hydrochloride
CID 43866004
2,3-diphenyl-1,7-phenanthroline;terbium
CID 174908963
2-methyl-3,7-phenanthroline
CID 129060966

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,7-phenanthrolin-2-amine?
The IUPAC name of 3-methyl-1,7-phenanthrolin-2-amine (CID 63231728) is 3-methyl-1,7-phenanthrolin-2-amine.
What is the SMILES notation for 3-methyl-1,7-phenanthrolin-2-amine?
The canonical SMILES for 3-methyl-1,7-phenanthrolin-2-amine is Cc1cc2ccc3ncccc3c2nc1N.
What is the InChIKey of 3-methyl-1,7-phenanthrolin-2-amine?
The InChIKey is QZCDJPBYAOHLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-8-7-9-4-5-11-10(3-2-6-15-11)12(9)16-13(8)14/h2-7H,1H3,(H2,14,16).
What are the key properties of 3-methyl-1,7-phenanthrolin-2-amine?
3-methyl-1,7-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 3-methyl-1,7-phenanthrolin-2-amine is sourced from PubChem (CID 63231728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).