8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline

C13H19NO — CID 106780643

IUPAC8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)OCc1cccc2c1CNCC2
InChIInChI=1S/C13H19NO/c1-10(2)15-9-12-5-3-4-11-6-7-14-8-13(11)12/h3-5,10,14H,6-9H2,1-2H3
InChIKeyHVWRVNBAIBKNEG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.26
Rot. Bonds3

About 8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline

8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106780643) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID106780643
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)OCc1cccc2c1CNCC2
InChIInChI=1S/C13H19NO/c1-10(2)15-9-12-5-3-4-11-6-7-14-8-13(11)12/h3-5,10,14H,6-9H2,1-2H3
InChIKeyHVWRVNBAIBKNEG-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104136
8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104127
1-(propan-2-yloxymethyl)-9H-fluorene
CID 58283334
2-propan-2-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
CID 112602533
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
CID 115104961
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106777742
2-methyl-1,3-bis(propan-2-yloxymethyl)benzene
CID 101195448
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474
8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104102
N-methyl-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)propanamide
CID 115104952
8-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106781538

Frequently Asked Questions

What is the IUPAC name of 8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline (CID 106780643) is 8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline is CC(C)OCc1cccc2c1CNCC2.
What is the InChIKey of 8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HVWRVNBAIBKNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)15-9-12-5-3-4-11-6-7-14-8-13(11)12/h3-5,10,14H,6-9H2,1-2H3.
What are the key properties of 8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline?
8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 205.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106780643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).