3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline

C15H23NO — CID 64687588

IUPAC3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1NCc2cc(OC(C)C)ccc2C1C
InChIInChI=1S/C15H23NO/c1-5-15-11(4)14-7-6-13(17-10(2)3)8-12(14)9-16-15/h6-8,10-11,15-16H,5,9H2,1-4H3
InChIKeyHWLPGNMQCZAGFY-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.46
Rot. Bonds3

About 3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline

3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64687588) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID64687588
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1NCc2cc(OC(C)C)ccc2C1C
InChIInChI=1S/C15H23NO/c1-5-15-11(4)14-7-6-13(17-10(2)3)8-12(14)9-16-15/h6-8,10-11,15-16H,5,9H2,1-4H3
InChIKeyHWLPGNMQCZAGFY-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline (CID 64687588) is 3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline is CCC1NCc2cc(OC(C)C)ccc2C1C.
What is the InChIKey of 3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HWLPGNMQCZAGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-15-11(4)14-7-6-13(17-10(2)3)8-12(14)9-16-15/h6-8,10-11,15-16H,5,9H2,1-4H3.
What are the key properties of 3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 233.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64687588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).