(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine

C12H18N2O2 — CID 83890605

IUPAC(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
SMILESCOc1ccc2c(c1OC)CC(CN)NC2
InChIInChI=1S/C12H18N2O2/c1-15-11-4-3-8-7-14-9(6-13)5-10(8)12(11)16-2/h3-4,9,14H,5-7,13H2,1-2H3
InChIKeyDIRBASWMDGNDGP-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.68
Rot. Bonds3

About (5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine

(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine (PubChem CID 83890605) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine.

Molecular Properties

Compound Name(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
PubChem CID83890605
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
SMILESCOc1ccc2c(c1OC)CC(CN)NC2
InChIInChI=1S/C12H18N2O2/c1-15-11-4-3-8-7-14-9(6-13)5-10(8)12(11)16-2/h3-4,9,14H,5-7,13H2,1-2H3
InChIKeyDIRBASWMDGNDGP-UHFFFAOYSA-N
XLogP0.68
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 95366245
4-cyclopentyl-6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 101488870
3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62374074
ethyl (3S)-6-methoxy-5-phenoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 146505646
6,7-dimethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83820244
4-[(5-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]morpholine
CID 151491731
(8-methoxy-5-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methanamine
CID 84620741
[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride
CID 156592430
6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20566245
(8-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine
CID 105436631
[(3R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 39345525
4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
CID 4140999

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine?
The IUPAC name of (5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine (CID 83890605) is (5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine.
What is the SMILES notation for (5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine?
The canonical SMILES for (5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine is COc1ccc2c(c1OC)CC(CN)NC2.
What is the InChIKey of (5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine?
The InChIKey is DIRBASWMDGNDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-15-11-4-3-8-7-14-9(6-13)5-10(8)12(11)16-2/h3-4,9,14H,5-7,13H2,1-2H3.
What are the key properties of (5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine?
(5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine has a molecular weight of 222.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methanamine is sourced from PubChem (CID 83890605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).