5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline

C16H25NO — CID 139364349

IUPAC5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCC(C)N1CCc2c(cccc2OC(C)(C)C)C1
InChIInChI=1S/C16H25NO/c1-12(2)17-10-9-14-13(11-17)7-6-8-15(14)18-16(3,4)5/h6-8,12H,9-11H2,1-5H3
InChIKeyUEBUMXWDCJFMBO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.63
Rot. Bonds2

About 5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline

5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 139364349) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID139364349
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCC(C)N1CCc2c(cccc2OC(C)(C)C)C1
InChIInChI=1S/C16H25NO/c1-12(2)17-10-9-14-13(11-17)7-6-8-15(14)18-16(3,4)5/h6-8,12H,9-11H2,1-5H3
InChIKeyUEBUMXWDCJFMBO-UHFFFAOYSA-N
XLogP3.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline (CID 139364349) is 5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline is CC(C)N1CCc2c(cccc2OC(C)(C)C)C1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is UEBUMXWDCJFMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)17-10-9-14-13(11-17)7-6-8-15(14)18-16(3,4)5/h6-8,12H,9-11H2,1-5H3.
What are the key properties of 5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 247.38 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 139364349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).