2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline

C17H19N — CID 71450608

IUPAC2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCc1cccc2c1C(c1ccccc1)CN(C)C2
InChIInChI=1S/C17H19N/c1-13-7-6-10-15-11-18(2)12-16(17(13)15)14-8-4-3-5-9-14/h3-10,16H,11-12H2,1-2H3
InChIKeyPUACBDCIAIMRLD-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.57
Rot. Bonds1

About 2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline

2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 71450608) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID71450608
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCc1cccc2c1C(c1ccccc1)CN(C)C2
InChIInChI=1S/C17H19N/c1-13-7-6-10-15-11-18(2)12-16(17(13)15)14-8-4-3-5-9-14/h3-10,16H,11-12H2,1-2H3
InChIKeyPUACBDCIAIMRLD-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline (CID 71450608) is 2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline is Cc1cccc2c1C(c1ccccc1)CN(C)C2.
What is the InChIKey of 2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is PUACBDCIAIMRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-13-7-6-10-15-11-18(2)12-16(17(13)15)14-8-4-3-5-9-14/h3-10,16H,11-12H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 237.35 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 71450608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).