1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline

C13H19NO — CID 64689174

IUPAC1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1NCC(C)c2ccc(OC)cc21
InChIInChI=1S/C13H19NO/c1-4-13-12-7-10(15-3)5-6-11(12)9(2)8-14-13/h5-7,9,13-14H,4,8H2,1-3H3
InChIKeyAZPGYFAIYXXCLR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.85
Rot. Bonds2

About 1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline

1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64689174) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64689174
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1NCC(C)c2ccc(OC)cc21
InChIInChI=1S/C13H19NO/c1-4-13-12-7-10(15-3)5-6-11(12)9(2)8-14-13/h5-7,9,13-14H,4,8H2,1-3H3
InChIKeyAZPGYFAIYXXCLR-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-7-methoxy-4-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

Related Compounds

1-ethyl-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64689567
4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline
CID 64688394
(6-methoxy-3-methyl-2,3-dihydro-1H-inden-1-yl)methanol
CID 14967720
4-ethyl-7-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
CID 58598878
2-(2-chloro-4-methoxyphenyl)-3-methylazetidine
CID 116822166
7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
CID 11542980
4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 64687395
4-ethyl-6-methoxy-3,4-dihydro-1H-quinazolin-2-one
CID 105458950
5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 154454244
6-methoxy-3-methyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 82075312
1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 64687801
1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 64688198

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline (CID 64689174) is 1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline is CCC1NCC(C)c2ccc(OC)cc21.
What is the InChIKey of 1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is AZPGYFAIYXXCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-13-12-7-10(15-3)5-6-11(12)9(2)8-14-13/h5-7,9,13-14H,4,8H2,1-3H3.
What are the key properties of 1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline?
1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 205.30 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 1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64689174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).