(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine

C14H22N2O2 — CID 83956740

IUPAC(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine
SMILESCCN1CCc2c(c(OC)cc(CN)c2OC)C1
InChIInChI=1S/C14H22N2O2/c1-4-16-6-5-11-12(9-16)13(17-2)7-10(8-15)14(11)18-3/h7H,4-6,8-9,15H2,1-3H3
InChIKeyGYEJDDDLBKSIJD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.54
Rot. Bonds4

About (2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine

(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine (PubChem CID 83956740) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine.

Molecular Properties

Compound Name(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine
PubChem CID83956740
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine
SMILESCCN1CCc2c(c(OC)cc(CN)c2OC)C1
InChIInChI=1S/C14H22N2O2/c1-4-16-6-5-11-12(9-16)13(17-2)7-10(8-15)14(11)18-3/h7H,4-6,8-9,15H2,1-3H3
InChIKeyGYEJDDDLBKSIJD-UHFFFAOYSA-N
XLogP1.54
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 83956744
N-ethyl-N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 112721634
4-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
CID 112721637
ethyl 6-(aminomethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83956458
2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline
CID 110457114
(6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methanamine
CID 82505660
(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)methanamine
CID 82581532
methyl 5,8-dimethoxy-6-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83956467
(5,8-dimethoxy-1-propyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanamine
CID 83956957
2-ethyl-5,8-dimethoxy-3-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 112721737
6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
CID 71450217
(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol
CID 84676076

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine?
The IUPAC name of (2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine (CID 83956740) is (2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine.
What is the SMILES notation for (2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine?
The canonical SMILES for (2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine is CCN1CCc2c(c(OC)cc(CN)c2OC)C1.
What is the InChIKey of (2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine?
The InChIKey is GYEJDDDLBKSIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16-6-5-11-12(9-16)13(17-2)7-10(8-15)14(11)18-3/h7H,4-6,8-9,15H2,1-3H3.
What are the key properties of (2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine?
(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine has a molecular weight of 250.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine is sourced from PubChem (CID 83956740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).