2-tert-butyl-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline

C16H25NO2 — CID 59028588

IUPAC2-tert-butyl-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(C(C)(C)C)C(C)C2
InChIInChI=1S/C16H25NO2/c1-11-7-12-8-14(18-5)15(19-6)9-13(12)10-17(11)16(2,3)4/h8-9,11H,7,10H2,1-6H3
InChIKeyMTZLFBQLNSHYQZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.25
Rot. Bonds2

About 2-tert-butyl-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline

2-tert-butyl-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 59028588) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-tert-butyl-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-tert-butyl-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID59028588
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-tert-butyl-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(C(C)(C)C)C(C)C2
InChIInChI=1S/C16H25NO2/c1-11-7-12-8-14(18-5)15(19-6)9-13(12)10-17(11)16(2,3)4/h8-9,11H,7,10H2,1-6H3
InChIKeyMTZLFBQLNSHYQZ-UHFFFAOYSA-N
XLogP3.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-tert-butyl-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline (CID 59028588) is 2-tert-butyl-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-tert-butyl-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-tert-butyl-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)CN(C(C)(C)C)C(C)C2.
What is the InChIKey of 2-tert-butyl-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is MTZLFBQLNSHYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-7-12-8-14(18-5)15(19-6)9-13(12)10-17(11)16(2,3)4/h8-9,11H,7,10H2,1-6H3.
What are the key properties of 2-tert-butyl-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline?
2-tert-butyl-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 263.38 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 59028588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).