5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

C14H21NO — CID 82127529

IUPAC5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(C)c2c1C(C(C)C)CNC2
InChIInChI=1S/C14H21NO/c1-9(2)11-7-15-8-12-10(3)5-6-13(16-4)14(11)12/h5-6,9,11,15H,7-8H2,1-4H3
InChIKeyMGGSWUGOMLZRCH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.85
Rot. Bonds2

About 5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 82127529) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID82127529
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(C)c2c1C(C(C)C)CNC2
InChIInChI=1S/C14H21NO/c1-9(2)11-7-15-8-12-10(3)5-6-13(16-4)14(11)12/h5-6,9,11,15H,7-8H2,1-4H3
InChIKeyMGGSWUGOMLZRCH-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 82127529) is 5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is COc1ccc(C)c2c1C(C(C)C)CNC2.
What is the InChIKey of 5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MGGSWUGOMLZRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9(2)11-7-15-8-12-10(3)5-6-13(16-4)14(11)12/h5-6,9,11,15H,7-8H2,1-4H3.
What are the key properties of 5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 219.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 82127529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).