1-phenyl-3,4-dihydroisoquinoline

C15H13N — CID 609926

IUPAC1-phenyl-3,4-dihydroisoquinoline
SMILESc1ccc(C2=NCCc3ccccc32)cc1
InChIInChI=1S/C15H13N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9H,10-11H2
InChIKeyCTOQBSUYGFNMJX-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.08
Rot. Bonds1

About 1-phenyl-3,4-dihydroisoquinoline

1-phenyl-3,4-dihydroisoquinoline (PubChem CID 609926) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-phenyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-phenyl-3,4-dihydroisoquinoline
PubChem CID609926
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name1-phenyl-3,4-dihydroisoquinoline
SMILESc1ccc(C2=NCCc3ccccc32)cc1
InChIInChI=1S/C15H13N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9H,10-11H2
InChIKeyCTOQBSUYGFNMJX-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(Diphenylmethylene)amino]acetonitrile
CID 612957
6-Phenyl-2,3,4,5-tetrahydropyridine
CID 11829725
3,4-Dihydro-1-(phenylmethyl)isoquinoline
CID 32719
3,4-Dihydroisoquinoline
CID 76705
N-benzylidene-2-phenylethanamine
CID 576350
Isoquinoline, 3,4-dihydro-3,3-dimethyl-, 2-oxide
CID 3073403
1-Methyl-3,4-dihydroisoquinoline
CID 231502
2,3-Dihydro-5,6-Diphenylpyrazine
CID 256218
1-Benzyl-3,4-dihydroisoquinoline hydrochloride
CID 45048805
4-(3,4-Dihydroisoquinolin-1-yl)heptanedinitrile
CID 2842456
3-Methyl-1-phenethyl-3,4-dihydroisoquinoline hydrochloride
CID 24747746
2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3,4-dihydroisoquinoline?
The IUPAC name of 1-phenyl-3,4-dihydroisoquinoline (CID 609926) is 1-phenyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-phenyl-3,4-dihydroisoquinoline?
The canonical SMILES for 1-phenyl-3,4-dihydroisoquinoline is c1ccc(C2=NCCc3ccccc32)cc1.
What is the InChIKey of 1-phenyl-3,4-dihydroisoquinoline?
The InChIKey is CTOQBSUYGFNMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9H,10-11H2.
What are the key properties of 1-phenyl-3,4-dihydroisoquinoline?
1-phenyl-3,4-dihydroisoquinoline has a molecular weight of 207.28 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 609926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).