4-phenyl-1,2,3,4-tetrahydroisoquinoline

C15H15N — CID 4236593

IUPAC4-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(C2CNCc3ccccc32)cc1
InChIInChI=1S/C15H15N/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h1-9,15-16H,10-11H2
InChIKeyOSZMNJRKIPAVOS-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.92
Rot. Bonds1

About 4-phenyl-1,2,3,4-tetrahydroisoquinoline

4-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 4236593) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID4236593
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name4-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(C2CNCc3ccccc32)cc1
InChIInChI=1S/C15H15N/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h1-9,15-16H,10-11H2
InChIKeyOSZMNJRKIPAVOS-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dizocilpine
CID 180081
Fendiline
CID 3336
1,2,3,4-Tetrahydroisoquinoline
CID 7046
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
N-Benzylphenethylamine
CID 65055
Dibenzylamine
CID 7656
4-Benzhydrylpiperidine
CID 88278
2-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 15362
1-(1-Naphthylmethyl)piperazine
CID 701891
3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
1-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 92214
N-Methyl-N-naphthylmethylamine
CID 84474

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 4236593) is 4-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-phenyl-1,2,3,4-tetrahydroisoquinoline is c1ccc(C2CNCc3ccccc32)cc1.
What is the InChIKey of 4-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OSZMNJRKIPAVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)15/h1-9,15-16H,10-11H2.
What are the key properties of 4-phenyl-1,2,3,4-tetrahydroisoquinoline?
4-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 209.29 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 4236593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).