2-ethyl-3,6-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline

C19H23N — CID 23344296

IUPAC2-ethyl-3,6-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCCN1Cc2c(cc(C)cc2-c2ccccc2)CC1C
InChIInChI=1S/C19H23N/c1-4-20-13-19-17(12-15(20)3)10-14(2)11-18(19)16-8-6-5-7-9-16/h5-11,15H,4,12-13H2,1-3H3
InChIKeyXPAFZMATQNLPJZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.43
Rot. Bonds2

About 2-ethyl-3,6-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline

2-ethyl-3,6-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 23344296) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-ethyl-3,6-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-ethyl-3,6-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID23344296
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name2-ethyl-3,6-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCCN1Cc2c(cc(C)cc2-c2ccccc2)CC1C
InChIInChI=1S/C19H23N/c1-4-20-13-19-17(12-15(20)3)10-14(2)11-18(19)16-8-6-5-7-9-16/h5-11,15H,4,12-13H2,1-3H3
InChIKeyXPAFZMATQNLPJZ-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,6-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-ethyl-3,6-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline (CID 23344296) is 2-ethyl-3,6-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-ethyl-3,6-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-ethyl-3,6-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline is CCN1Cc2c(cc(C)cc2-c2ccccc2)CC1C.
What is the InChIKey of 2-ethyl-3,6-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is XPAFZMATQNLPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-4-20-13-19-17(12-15(20)3)10-14(2)11-18(19)16-8-6-5-7-9-16/h5-11,15H,4,12-13H2,1-3H3.
What are the key properties of 2-ethyl-3,6-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline?
2-ethyl-3,6-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 265.40 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,6-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 23344296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).