N-(2-methylphenyl)phenanthridin-6-amine

C20H16N2 — CID 3100304

IUPACN-(2-methylphenyl)phenanthridin-6-amine
SMILESCc1ccccc1Nc1nc2ccccc2c2ccccc12
InChIInChI=1S/C20H16N2/c1-14-8-2-6-12-18(14)21-20-17-11-4-3-9-15(17)16-10-5-7-13-19(16)22-20/h2-13H,1H3,(H,21,22)
InChIKeySKMMEDRWWPQFFY-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.44
Rot. Bonds2

About N-(2-methylphenyl)phenanthridin-6-amine

N-(2-methylphenyl)phenanthridin-6-amine (PubChem CID 3100304) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-methylphenyl)phenanthridin-6-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)phenanthridin-6-amine
PubChem CID3100304
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC NameN-(2-methylphenyl)phenanthridin-6-amine
SMILESCc1ccccc1Nc1nc2ccccc2c2ccccc12
InChIInChI=1S/C20H16N2/c1-14-8-2-6-12-18(14)21-20-17-11-4-3-9-15(17)16-10-5-7-13-19(16)22-20/h2-13H,1H3,(H,21,22)
InChIKeySKMMEDRWWPQFFY-UHFFFAOYSA-N
XLogP5.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-methylphenyl)phenanthridin-6-amine 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 N-(2-methylphenyl)phenanthridin-6-amine?
The IUPAC name of N-(2-methylphenyl)phenanthridin-6-amine (CID 3100304) is N-(2-methylphenyl)phenanthridin-6-amine.
What is the SMILES notation for N-(2-methylphenyl)phenanthridin-6-amine?
The canonical SMILES for N-(2-methylphenyl)phenanthridin-6-amine is Cc1ccccc1Nc1nc2ccccc2c2ccccc12.
What is the InChIKey of N-(2-methylphenyl)phenanthridin-6-amine?
The InChIKey is SKMMEDRWWPQFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-14-8-2-6-12-18(14)21-20-17-11-4-3-9-15(17)16-10-5-7-13-19(16)22-20/h2-13H,1H3,(H,21,22).
What are the key properties of N-(2-methylphenyl)phenanthridin-6-amine?
N-(2-methylphenyl)phenanthridin-6-amine has a molecular weight of 284.36 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)phenanthridin-6-amine is sourced from PubChem (CID 3100304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).