7,8-dimethyl-4-phenyl-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline

C25H27N — CID 24901522

IUPAC7,8-dimethyl-4-phenyl-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1C)CN(CCc1ccccc1)CC2c1ccccc1
InChIInChI=1S/C25H27N/c1-19-13-14-23-24(20(19)2)17-26(16-15-21-9-5-3-6-10-21)18-25(23)22-11-7-4-8-12-22/h3-14,25H,15-18H2,1-2H3
InChIKeyAQIANVVPEXKNAN-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.49
Rot. Bonds4

About 7,8-dimethyl-4-phenyl-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline

7,8-dimethyl-4-phenyl-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 24901522) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is 7,8-dimethyl-4-phenyl-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7,8-dimethyl-4-phenyl-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID24901522
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name7,8-dimethyl-4-phenyl-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1C)CN(CCc1ccccc1)CC2c1ccccc1
InChIInChI=1S/C25H27N/c1-19-13-14-23-24(20(19)2)17-26(16-15-21-9-5-3-6-10-21)18-25(23)22-11-7-4-8-12-22/h3-14,25H,15-18H2,1-2H3
InChIKeyAQIANVVPEXKNAN-UHFFFAOYSA-N
XLogP5.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-4-phenyl-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7,8-dimethyl-4-phenyl-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline (CID 24901522) is 7,8-dimethyl-4-phenyl-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7,8-dimethyl-4-phenyl-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7,8-dimethyl-4-phenyl-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline is Cc1ccc2c(c1C)CN(CCc1ccccc1)CC2c1ccccc1.
What is the InChIKey of 7,8-dimethyl-4-phenyl-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is AQIANVVPEXKNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N/c1-19-13-14-23-24(20(19)2)17-26(16-15-21-9-5-3-6-10-21)18-25(23)22-11-7-4-8-12-22/h3-14,25H,15-18H2,1-2H3.
What are the key properties of 7,8-dimethyl-4-phenyl-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline?
7,8-dimethyl-4-phenyl-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 341.50 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-4-phenyl-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 24901522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).