1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline

C13H19NO — CID 62496450

IUPAC1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCCOc1ccc2c(c1)C(C)NCC2
InChIInChI=1S/C13H19NO/c1-3-8-15-12-5-4-11-6-7-14-10(2)13(11)9-12/h4-5,9-10,14H,3,6-8H2,1-2H3
InChIKeyMYGAWEXUEIMHSF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.68
Rot. Bonds3

About 1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline

1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62496450) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID62496450
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCCOc1ccc2c(c1)C(C)NCC2
InChIInChI=1S/C13H19NO/c1-3-8-15-12-5-4-11-6-7-14-10(2)13(11)9-12/h4-5,9-10,14H,3,6-8H2,1-2H3
InChIKeyMYGAWEXUEIMHSF-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-7-propoxy-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-tert-butyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline
CID 62495291
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
(1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline
CID 96989866
1-benzyl-7-octoxy-1,2,3,4-tetrahydroisoquinoline
CID 141386666
(1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94365199
(1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7157327
(1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline
CID 138040626
1-methyl-7-(methylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 138530781
4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline
CID 64688394
1-methoxy-7-propoxy-2,4-dihydro-1H-isoquinolin-3-one
CID 123455144
tert-butyl N-[2-[(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)oxy]ethyl]carbamate
CID 177252002
7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 58416402

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline (CID 62496450) is 1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline is CCCOc1ccc2c(c1)C(C)NCC2.
What is the InChIKey of 1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MYGAWEXUEIMHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-8-15-12-5-4-11-6-7-14-10(2)13(11)9-12/h4-5,9-10,14H,3,6-8H2,1-2H3.
What are the key properties of 1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline?
1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 205.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-propoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62496450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).