1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline

C17H19N — CID 15339033

IUPAC1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline
SMILESCc1ccc2c(c1)CCNC2(C)c1ccccc1
InChIInChI=1S/C17H19N/c1-13-8-9-16-14(12-13)10-11-18-17(16,2)15-6-4-3-5-7-15/h3-9,12,18H,10-11H2,1-2H3
InChIKeyWYWIGXWPOVGEMV-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.40
Rot. Bonds1

About 1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline

1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline (PubChem CID 15339033) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline.

Molecular Properties

Compound Name1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline
PubChem CID15339033
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline
SMILESCc1ccc2c(c1)CCNC2(C)c1ccccc1
InChIInChI=1S/C17H19N/c1-13-8-9-16-14(12-13)10-11-18-17(16,2)15-6-4-3-5-7-15/h3-9,12,18H,10-11H2,1-2H3
InChIKeyWYWIGXWPOVGEMV-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline?
The IUPAC name of 1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline (CID 15339033) is 1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline.
What is the SMILES notation for 1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline?
The canonical SMILES for 1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline is Cc1ccc2c(c1)CCNC2(C)c1ccccc1.
What is the InChIKey of 1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline?
The InChIKey is WYWIGXWPOVGEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-13-8-9-16-14(12-13)10-11-18-17(16,2)15-6-4-3-5-7-15/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of 1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline?
1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline has a molecular weight of 237.35 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-1-phenyl-3,4-dihydro-2H-isoquinoline is sourced from PubChem (CID 15339033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).