2,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline

C18H21N — CID 10220615

IUPAC2,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1C)CN(C)CC2c1ccccc1
InChIInChI=1S/C18H21N/c1-13-9-10-16-17(14(13)2)11-19(3)12-18(16)15-7-5-4-6-8-15/h4-10,18H,11-12H2,1-3H3
InChIKeyKJSYAMNHDJSTMY-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.88
Rot. Bonds1

About 2,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline

2,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 10220615) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID10220615
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc2c(c1C)CN(C)CC2c1ccccc1
InChIInChI=1S/C18H21N/c1-13-9-10-16-17(14(13)2)11-19(3)12-18(16)15-7-5-4-6-8-15/h4-10,18H,11-12H2,1-3H3
InChIKeyKJSYAMNHDJSTMY-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline (CID 10220615) is 2,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline is Cc1ccc2c(c1C)CN(C)CC2c1ccccc1.
What is the InChIKey of 2,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is KJSYAMNHDJSTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-9-10-16-17(14(13)2)11-19(3)12-18(16)15-7-5-4-6-8-15/h4-10,18H,11-12H2,1-3H3.
What are the key properties of 2,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline?
2,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 251.37 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 10220615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).