7-methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine

C11H18N2O — CID 144980700

IUPAC7-methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine
SMILESCOC1=C(N)C(C)C2CCNCC2=C1
InChIInChI=1S/C11H18N2O/c1-7-9-3-4-13-6-8(9)5-10(14-2)11(7)12/h5,7,9,13H,3-4,6,12H2,1-2H3
InChIKeyCNMBQQYVPSWTIC-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.99
Rot. Bonds1

About 7-methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine

7-methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine (PubChem CID 144980700) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 7-methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine.

Molecular Properties

Compound Name7-methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine
PubChem CID144980700
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name7-methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine
SMILESCOC1=C(N)C(C)C2CCNCC2=C1
InChIInChI=1S/C11H18N2O/c1-7-9-3-4-13-6-8(9)5-10(14-2)11(7)12/h5,7,9,13H,3-4,6,12H2,1-2H3
InChIKeyCNMBQQYVPSWTIC-UHFFFAOYSA-N
XLogP0.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine 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

6,7-Dimethoxy-1,2,3,4,4a,8a-hexahydroisoquinoline
CID 44249266
6-Ethyl-7-methoxy-1,2,3,4,4a,8a-hexahydroisoquinoline
CID 89109781
6-(5-methyl-1,2,3,6-tetrahydropyridin-3-yl)-3,4,6,7-tetrahydro-2H-1,4-benzoxazine
CID 118549050
4-Methoxy-5-piperidin-4-yl-1,2-dihydropyridine
CID 118610282
4-Methoxy-3-piperidin-4-yl-1,2-dihydropyridine
CID 118610283
5-Methoxy-6-piperidin-4-yl-1,2-dihydropyridine
CID 118610408
N-(3-methoxy-1-piperidin-4-ylbuta-1,3-dienyl)methanimine
CID 123549216
2,2-Dimethyl-8-propan-2-yl-3,4,5,6-tetrahydropyrano[3,2-b]pyridine
CID 126645183
2-methoxy-6-methyl-N,4-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 135219146
6-Methoxy-4-piperidin-4-ylcyclohexa-1,5-dien-1-amine
CID 137483332
ethane;4-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperidine
CID 143276794
4-[(1E,3Z,5Z)-3-ethenyl-4-methoxyhepta-1,3,5-trienyl]piperidine
CID 143792072

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine?
The IUPAC name of 7-methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine (CID 144980700) is 7-methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine.
What is the SMILES notation for 7-methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine?
The canonical SMILES for 7-methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine is COC1=C(N)C(C)C2CCNCC2=C1.
What is the InChIKey of 7-methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine?
The InChIKey is CNMBQQYVPSWTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-9-3-4-13-6-8(9)5-10(14-2)11(7)12/h5,7,9,13H,3-4,6,12H2,1-2H3.
What are the key properties of 7-methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine?
7-methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine has a molecular weight of 194.28 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-1,2,3,4,4a,5-hexahydroisoquinolin-6-amine is sourced from PubChem (CID 144980700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).