4-phenylisoquinolin-3-amine

C15H12N2 — CID 21162095

IUPAC4-phenylisoquinolin-3-amine
SMILESNc1ncc2ccccc2c1-c1ccccc1
InChIInChI=1S/C15H12N2/c16-15-14(11-6-2-1-3-7-11)13-9-5-4-8-12(13)10-17-15/h1-10H,(H2,16,17)
InChIKeyDQPLRTLLLDIYAV-UHFFFAOYSA-N
MW220.28 g/mol
LogP3.48
Rot. Bonds1

About 4-phenylisoquinolin-3-amine

4-phenylisoquinolin-3-amine (PubChem CID 21162095) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-phenylisoquinolin-3-amine.

Molecular Properties

Compound Name4-phenylisoquinolin-3-amine
PubChem CID21162095
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name4-phenylisoquinolin-3-amine
SMILESNc1ncc2ccccc2c1-c1ccccc1
InChIInChI=1S/C15H12N2/c16-15-14(11-6-2-1-3-7-11)13-9-5-4-8-12(13)10-17-15/h1-10H,(H2,16,17)
InChIKeyDQPLRTLLLDIYAV-UHFFFAOYSA-N
XLogP3.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylisoquinolin-3-amine?
The IUPAC name of 4-phenylisoquinolin-3-amine (CID 21162095) is 4-phenylisoquinolin-3-amine.
What is the SMILES notation for 4-phenylisoquinolin-3-amine?
The canonical SMILES for 4-phenylisoquinolin-3-amine is Nc1ncc2ccccc2c1-c1ccccc1.
What is the InChIKey of 4-phenylisoquinolin-3-amine?
The InChIKey is DQPLRTLLLDIYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c16-15-14(11-6-2-1-3-7-11)13-9-5-4-8-12(13)10-17-15/h1-10H,(H2,16,17).
What are the key properties of 4-phenylisoquinolin-3-amine?
4-phenylisoquinolin-3-amine has a molecular weight of 220.28 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylisoquinolin-3-amine is sourced from PubChem (CID 21162095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).