N-phenylisoquinolin-1-amine

C15H12N2 — CID 613037

IUPACN-phenylisoquinolin-1-amine
SMILESc1ccc(Nc2nccc3ccccc23)cc1
InChIInChI=1S/C15H12N2/c1-2-7-13(8-3-1)17-15-14-9-5-4-6-12(14)10-11-16-15/h1-11H,(H,16,17)
InChIKeyIVKBQKXRJFEWRY-UHFFFAOYSA-N
MW220.28 g/mol
LogP3.98
Rot. Bonds2

About N-phenylisoquinolin-1-amine

N-phenylisoquinolin-1-amine (PubChem CID 613037) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-phenylisoquinolin-1-amine.

Molecular Properties

Compound NameN-phenylisoquinolin-1-amine
PubChem CID613037
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC NameN-phenylisoquinolin-1-amine
SMILESc1ccc(Nc2nccc3ccccc23)cc1
InChIInChI=1S/C15H12N2/c1-2-7-13(8-3-1)17-15-14-9-5-4-6-12(14)10-11-16-15/h1-11H,(H,16,17)
InChIKeyIVKBQKXRJFEWRY-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenylisoquinolin-1-amine?
The IUPAC name of N-phenylisoquinolin-1-amine (CID 613037) is N-phenylisoquinolin-1-amine.
What is the SMILES notation for N-phenylisoquinolin-1-amine?
The canonical SMILES for N-phenylisoquinolin-1-amine is c1ccc(Nc2nccc3ccccc23)cc1.
What is the InChIKey of N-phenylisoquinolin-1-amine?
The InChIKey is IVKBQKXRJFEWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c1-2-7-13(8-3-1)17-15-14-9-5-4-6-12(14)10-11-16-15/h1-11H,(H,16,17).
What are the key properties of N-phenylisoquinolin-1-amine?
N-phenylisoquinolin-1-amine has a molecular weight of 220.28 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylisoquinolin-1-amine is sourced from PubChem (CID 613037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).