(5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine

C14H22N2O3 — CID 82133858

IUPAC(5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine
SMILESCOc1cc(OC)c2c(c1OC)CN(C)CC2CN
InChIInChI=1S/C14H22N2O3/c1-16-7-9(6-15)13-10(8-16)14(19-4)12(18-3)5-11(13)17-2/h5,9H,6-8,15H2,1-4H3
InChIKeySNUKLBDCOGWUOI-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.20
Rot. Bonds4

About (5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine

(5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine (PubChem CID 82133858) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine.

Molecular Properties

Compound Name(5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine
PubChem CID82133858
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine
SMILESCOc1cc(OC)c2c(c1OC)CN(C)CC2CN
InChIInChI=1S/C14H22N2O3/c1-16-7-9(6-15)13-10(8-16)14(19-4)12(18-3)5-11(13)17-2/h5,9H,6-8,15H2,1-4H3
InChIKeySNUKLBDCOGWUOI-UHFFFAOYSA-N
XLogP1.20
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 82131742
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
(2-butyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544371
(2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544375
7-(aminomethyl)-5-methoxy-2-methylsulfanylbicyclo[4.2.0]octa-1(6),2,4-triene-3-thiol
CID 170143731
4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 82159726
2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol
CID 82159343
[3-(2-fluoroethyl)-5-methoxy-2-methylsulfanyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methanamine
CID 162430159
3-ethyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62374074
2,3,5,6-tetramethoxyaniline
CID 19093015
[5-[3-(fluoromethyl)-4,5-dimethoxyphenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117453932

Frequently Asked Questions

What is the IUPAC name of (5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine?
The IUPAC name of (5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine (CID 82133858) is (5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine.
What is the SMILES notation for (5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine?
The canonical SMILES for (5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine is COc1cc(OC)c2c(c1OC)CN(C)CC2CN.
What is the InChIKey of (5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine?
The InChIKey is SNUKLBDCOGWUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-16-7-9(6-15)13-10(8-16)14(19-4)12(18-3)5-11(13)17-2/h5,9H,6-8,15H2,1-4H3.
What are the key properties of (5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine?
(5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine has a molecular weight of 266.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine is sourced from PubChem (CID 82133858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).