9,10-dimethylphenanthridin-3-amine

C15H14N2 — CID 160985483

IUPAC9,10-dimethylphenanthridin-3-amine
SMILESCc1ccc2cnc3cc(N)ccc3c2c1C
InChIInChI=1S/C15H14N2/c1-9-3-4-11-8-17-14-7-12(16)5-6-13(14)15(11)10(9)2/h3-8H,16H2,1-2H3
InChIKeyGQOLCAOWEUEPTR-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.59
Rot. Bonds

About 9,10-dimethylphenanthridin-3-amine

9,10-dimethylphenanthridin-3-amine (PubChem CID 160985483) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 9,10-dimethylphenanthridin-3-amine.

Molecular Properties

Compound Name9,10-dimethylphenanthridin-3-amine
PubChem CID160985483
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name9,10-dimethylphenanthridin-3-amine
SMILESCc1ccc2cnc3cc(N)ccc3c2c1C
InChIInChI=1S/C15H14N2/c1-9-3-4-11-8-17-14-7-12(16)5-6-13(14)15(11)10(9)2/h3-8H,16H2,1-2H3
InChIKeyGQOLCAOWEUEPTR-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethylphenanthridin-3-amine?
The IUPAC name of 9,10-dimethylphenanthridin-3-amine (CID 160985483) is 9,10-dimethylphenanthridin-3-amine.
What is the SMILES notation for 9,10-dimethylphenanthridin-3-amine?
The canonical SMILES for 9,10-dimethylphenanthridin-3-amine is Cc1ccc2cnc3cc(N)ccc3c2c1C.
What is the InChIKey of 9,10-dimethylphenanthridin-3-amine?
The InChIKey is GQOLCAOWEUEPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-9-3-4-11-8-17-14-7-12(16)5-6-13(14)15(11)10(9)2/h3-8H,16H2,1-2H3.
What are the key properties of 9,10-dimethylphenanthridin-3-amine?
9,10-dimethylphenanthridin-3-amine has a molecular weight of 222.29 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethylphenanthridin-3-amine is sourced from PubChem (CID 160985483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).