1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline

C13H19NO — CID 119082441

IUPAC1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCOCC1NCCc2ccc(C)cc21
InChIInChI=1S/C13H19NO/c1-3-15-9-13-12-8-10(2)4-5-11(12)6-7-14-13/h4-5,8,13-14H,3,6-7,9H2,1-2H3
InChIKeyKPFIHFDVMGYTTF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.22
Rot. Bonds3

About 1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline

1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 119082441) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID119082441
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCOCC1NCCc2ccc(C)cc21
InChIInChI=1S/C13H19NO/c1-3-15-9-13-12-8-10(2)4-5-11(12)6-7-14-13/h4-5,8,13-14H,3,6-7,9H2,1-2H3
InChIKeyKPFIHFDVMGYTTF-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(ethoxymethyl)-7-methyl-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

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline (CID 119082441) is 1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline is CCOCC1NCCc2ccc(C)cc21.
What is the InChIKey of 1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is KPFIHFDVMGYTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-15-9-13-12-8-10(2)4-5-11(12)6-7-14-13/h4-5,8,13-14H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline?
1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 205.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 119082441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).