(5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine

C13H20N2O3 — CID 82131742

IUPAC(5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
SMILESCOc1cc(OC)c2c(c1OC)CNCC2CN
InChIInChI=1S/C13H20N2O3/c1-16-10-4-11(17-2)13(18-3)9-7-15-6-8(5-14)12(9)10/h4,8,15H,5-7,14H2,1-3H3
InChIKeySUMAVJFJRSUSFY-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.86
Rot. Bonds4

About (5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine

(5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine (PubChem CID 82131742) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine.

Molecular Properties

Compound Name(5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
PubChem CID82131742
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
SMILESCOc1cc(OC)c2c(c1OC)CNCC2CN
InChIInChI=1S/C13H20N2O3/c1-16-10-4-11(17-2)13(18-3)9-7-15-6-8(5-14)12(9)10/h4,8,15H,5-7,14H2,1-3H3
InChIKeySUMAVJFJRSUSFY-UHFFFAOYSA-N
XLogP0.86
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine 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

(5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine
CID 82133858
3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol
CID 82131838
(2,5-dimethoxy-3-propylsulfanyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine
CID 166922619
7-methoxy-5,8-dimethyl-4-propyl-1,2,3,4-tetrahydroisoquinoline
CID 82129107
[(4Z)-4-[(2,3,4-trimethoxyphenyl)methoxyimino]pyrrolidin-3-yl]methanamine
CID 71486419
3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62374074
7-(aminomethyl)-5-methoxy-2-methylsulfanylbicyclo[4.2.0]octa-1(6),2,4-triene-3-thiol
CID 170143731
5,6,8-trimethoxy-2,3-dihydro-1H-isoquinolin-4-one
CID 82048530
(4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 67721838
4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 82159726
(4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170039
[3-(2-fluoroethyl)-5-methoxy-2-methylsulfanyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanamine
CID 162430159

Frequently Asked Questions

What is the IUPAC name of (5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine?
The IUPAC name of (5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine (CID 82131742) is (5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine.
What is the SMILES notation for (5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine?
The canonical SMILES for (5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine is COc1cc(OC)c2c(c1OC)CNCC2CN.
What is the InChIKey of (5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine?
The InChIKey is SUMAVJFJRSUSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-16-10-4-11(17-2)13(18-3)9-7-15-6-8(5-14)12(9)10/h4,8,15H,5-7,14H2,1-3H3.
What are the key properties of (5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine?
(5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine has a molecular weight of 252.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine is sourced from PubChem (CID 82131742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).