4-phenyl-3,4-dihydroisoquinoline

C15H13N — CID 610131

IUPAC4-phenyl-3,4-dihydroisoquinoline
SMILESC1=NCC(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H13N/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h1-10,15H,11H2
InChIKeyPQKKAOHDVLDMOM-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.25
Rot. Bonds1

About 4-phenyl-3,4-dihydroisoquinoline

4-phenyl-3,4-dihydroisoquinoline (PubChem CID 610131) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-phenyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name4-phenyl-3,4-dihydroisoquinoline
PubChem CID610131
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name4-phenyl-3,4-dihydroisoquinoline
SMILESC1=NCC(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H13N/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h1-10,15H,11H2
InChIKeyPQKKAOHDVLDMOM-UHFFFAOYSA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3,4-dihydroisoquinoline?
The IUPAC name of 4-phenyl-3,4-dihydroisoquinoline (CID 610131) is 4-phenyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 4-phenyl-3,4-dihydroisoquinoline?
The canonical SMILES for 4-phenyl-3,4-dihydroisoquinoline is C1=NCC(c2ccccc2)c2ccccc21.
What is the InChIKey of 4-phenyl-3,4-dihydroisoquinoline?
The InChIKey is PQKKAOHDVLDMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h1-10,15H,11H2.
What are the key properties of 4-phenyl-3,4-dihydroisoquinoline?
4-phenyl-3,4-dihydroisoquinoline has a molecular weight of 207.28 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 610131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).