2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline

C17H19N — CID 3052881

IUPAC2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCC1Cc2cccc(-c3ccccc3)c2CN1C
InChIInChI=1S/C17H19N/c1-13-11-15-9-6-10-16(17(15)12-18(13)2)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyBJNIQAHXSHOGCL-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.73
Rot. Bonds1

About 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline

2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 3052881) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID3052881
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCC1Cc2cccc(-c3ccccc3)c2CN1C
InChIInChI=1S/C17H19N/c1-13-11-15-9-6-10-16(17(15)12-18(13)2)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyBJNIQAHXSHOGCL-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline (CID 3052881) is 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline is CC1Cc2cccc(-c3ccccc3)c2CN1C.
What is the InChIKey of 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is BJNIQAHXSHOGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-13-11-15-9-6-10-16(17(15)12-18(13)2)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline?
2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 237.35 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 3052881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).