4-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylbutan-1-amine

C23H32N2 — CID 24901528

IUPAC4-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylbutan-1-amine
SMILESCc1ccc2c(c1C)CN(CCCCN(C)C)CC2c1ccccc1
InChIInChI=1S/C23H32N2/c1-18-12-13-21-22(19(18)2)16-25(15-9-8-14-24(3)4)17-23(21)20-10-6-5-7-11-20/h5-7,10-13,23H,8-9,14-17H2,1-4H3
InChIKeyZIQVUHSXFIVRAX-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.59
Rot. Bonds6

About 4-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylbutan-1-amine

4-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylbutan-1-amine (PubChem CID 24901528) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 4-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylbutan-1-amine
PubChem CID24901528
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name4-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylbutan-1-amine
SMILESCc1ccc2c(c1C)CN(CCCCN(C)C)CC2c1ccccc1
InChIInChI=1S/C23H32N2/c1-18-12-13-21-22(19(18)2)16-25(15-9-8-14-24(3)4)17-23(21)20-10-6-5-7-11-20/h5-7,10-13,23H,8-9,14-17H2,1-4H3
InChIKeyZIQVUHSXFIVRAX-UHFFFAOYSA-N
XLogP4.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylbutan-1-amine (CID 24901528) is 4-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylbutan-1-amine is Cc1ccc2c(c1C)CN(CCCCN(C)C)CC2c1ccccc1.
What is the InChIKey of 4-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylbutan-1-amine?
The InChIKey is ZIQVUHSXFIVRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-18-12-13-21-22(19(18)2)16-25(15-9-8-14-24(3)4)17-23(21)20-10-6-5-7-11-20/h5-7,10-13,23H,8-9,14-17H2,1-4H3.
What are the key properties of 4-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylbutan-1-amine?
4-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylbutan-1-amine has a molecular weight of 336.52 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8-dimethyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 24901528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).