1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine

C12H18N2O — CID 83957041

IUPAC1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine
SMILESCNCc1cc2c(cc1OC)CNCC2
InChIInChI=1S/C12H18N2O/c1-13-7-11-5-9-3-4-14-8-10(9)6-12(11)15-2/h5-6,13-14H,3-4,7-8H2,1-2H3
InChIKeyZNIAOGYSYGYGDW-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.06
Rot. Bonds3

About 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine

1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine (PubChem CID 83957041) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine
PubChem CID83957041
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine
SMILESCNCc1cc2c(cc1OC)CNCC2
InChIInChI=1S/C12H18N2O/c1-13-7-11-5-9-3-4-14-8-10(9)6-12(11)15-2/h5-6,13-14H,3-4,7-8H2,1-2H3
InChIKeyZNIAOGYSYGYGDW-UHFFFAOYSA-N
XLogP1.06
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-6-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83957040
7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 82279765
ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 166464794
6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 169125392
3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene;N-methylethanamine
CID 143683938
2-[(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)methyl]quinoline;dihydrochloride
CID 167516078
8-methoxy-7-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
CID 82158690
7-chloro-6-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 84666630
1-(4-methoxy-6-methyl-3-pyridinyl)-N-methylmethanamine
CID 81254703
6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 168888866
N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 82171879
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-ol;dihydrate;hydrochloride
CID 76965643

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine (CID 83957041) is 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine is CNCc1cc2c(cc1OC)CNCC2.
What is the InChIKey of 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine?
The InChIKey is ZNIAOGYSYGYGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13-7-11-5-9-3-4-14-8-10(9)6-12(11)15-2/h5-6,13-14H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine?
1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine has a molecular weight of 206.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-yl)-N-methylmethanamine is sourced from PubChem (CID 83957041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).