1-[(3,4-dimethylphenyl)methyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline

C21H27N — CID 134596241

IUPAC1-[(3,4-dimethylphenyl)methyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(CC2c3cc(C)c(C)cc3CCN2C)cc1C
InChIInChI=1S/C21H27N/c1-14-6-7-18(10-15(14)2)13-21-20-12-17(4)16(3)11-19(20)8-9-22(21)5/h6-7,10-12,21H,8-9,13H2,1-5H3
InChIKeyIPYFFWYJOALWAB-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.69
Rot. Bonds2

About 1-[(3,4-dimethylphenyl)methyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline

1-[(3,4-dimethylphenyl)methyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 134596241) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline
PubChem CID134596241
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(CC2c3cc(C)c(C)cc3CCN2C)cc1C
InChIInChI=1S/C21H27N/c1-14-6-7-18(10-15(14)2)13-21-20-12-17(4)16(3)11-19(20)8-9-22(21)5/h6-7,10-12,21H,8-9,13H2,1-5H3
InChIKeyIPYFFWYJOALWAB-UHFFFAOYSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline (CID 134596241) is 1-[(3,4-dimethylphenyl)methyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline is Cc1ccc(CC2c3cc(C)c(C)cc3CCN2C)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is IPYFFWYJOALWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-14-6-7-18(10-15(14)2)13-21-20-12-17(4)16(3)11-19(20)8-9-22(21)5/h6-7,10-12,21H,8-9,13H2,1-5H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline?
1-[(3,4-dimethylphenyl)methyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 293.45 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-2,6,7-trimethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 134596241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).