6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline

C15H23NO — CID 144980713

IUPAC6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCCC(C)Oc1cc2c(cc1C)CCNC2
InChIInChI=1S/C15H23NO/c1-4-5-12(3)17-15-9-14-10-16-7-6-13(14)8-11(15)2/h8-9,12,16H,4-7,10H2,1-3H3
InChIKeyWQBZDODRQZFADR-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.21
Rot. Bonds4

About 6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline

6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 144980713) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID144980713
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCCC(C)Oc1cc2c(cc1C)CCNC2
InChIInChI=1S/C15H23NO/c1-4-5-12(3)17-15-9-14-10-16-7-6-13(14)8-11(15)2/h8-9,12,16H,4-7,10H2,1-3H3
InChIKeyWQBZDODRQZFADR-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 144980703
4-methyl-3-pentan-2-yloxyaniline
CID 107890554
3-methyl-4-pentan-2-yloxyaniline
CID 102980374
2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide
CID 107896256
ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145372798
6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 168889822
7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 82279765
7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83957040
1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine
CID 83957041
4-methyl-2-pentan-2-yloxyaniline
CID 102980406
N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide
CID 107892897
8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
CID 82158690

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline (CID 144980713) is 6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline is CCCC(C)Oc1cc2c(cc1C)CCNC2.
What is the InChIKey of 6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WQBZDODRQZFADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-5-12(3)17-15-9-14-10-16-7-6-13(14)8-11(15)2/h8-9,12,16H,4-7,10H2,1-3H3.
What are the key properties of 6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 233.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 144980713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).