3-methyl-6-phenylisoquinolin-5-amine

C16H14N2 — CID 59647688

IUPAC3-methyl-6-phenylisoquinolin-5-amine
SMILESCc1cc2c(N)c(-c3ccccc3)ccc2cn1
InChIInChI=1S/C16H14N2/c1-11-9-15-13(10-18-11)7-8-14(16(15)17)12-5-3-2-4-6-12/h2-10H,17H2,1H3
InChIKeyZKVZKHJVQSRYQG-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.79
Rot. Bonds1

About 3-methyl-6-phenylisoquinolin-5-amine

3-methyl-6-phenylisoquinolin-5-amine (PubChem CID 59647688) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-methyl-6-phenylisoquinolin-5-amine.

Molecular Properties

Compound Name3-methyl-6-phenylisoquinolin-5-amine
PubChem CID59647688
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name3-methyl-6-phenylisoquinolin-5-amine
SMILESCc1cc2c(N)c(-c3ccccc3)ccc2cn1
InChIInChI=1S/C16H14N2/c1-11-9-15-13(10-18-11)7-8-14(16(15)17)12-5-3-2-4-6-12/h2-10H,17H2,1H3
InChIKeyZKVZKHJVQSRYQG-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-6-phenylisoquinolin-5-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 3-methyl-6-phenylisoquinolin-5-amine?
The IUPAC name of 3-methyl-6-phenylisoquinolin-5-amine (CID 59647688) is 3-methyl-6-phenylisoquinolin-5-amine.
What is the SMILES notation for 3-methyl-6-phenylisoquinolin-5-amine?
The canonical SMILES for 3-methyl-6-phenylisoquinolin-5-amine is Cc1cc2c(N)c(-c3ccccc3)ccc2cn1.
What is the InChIKey of 3-methyl-6-phenylisoquinolin-5-amine?
The InChIKey is ZKVZKHJVQSRYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-11-9-15-13(10-18-11)7-8-14(16(15)17)12-5-3-2-4-6-12/h2-10H,17H2,1H3.
What are the key properties of 3-methyl-6-phenylisoquinolin-5-amine?
3-methyl-6-phenylisoquinolin-5-amine has a molecular weight of 234.30 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenylisoquinolin-5-amine is sourced from PubChem (CID 59647688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).