N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine

C16H26N2O2 — CID 83956744

IUPACN-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
SMILESCCNCc1cc(OC)c2c(c1OC)CCN(CC)C2
InChIInChI=1S/C16H26N2O2/c1-5-17-10-12-9-15(19-3)14-11-18(6-2)8-7-13(14)16(12)20-4/h9,17H,5-8,10-11H2,1-4H3
InChIKeyOYNUOPHBKUETLF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.19
Rot. Bonds6

About N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine

N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine (PubChem CID 83956744) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
PubChem CID83956744
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
SMILESCCNCc1cc(OC)c2c(c1OC)CCN(CC)C2
InChIInChI=1S/C16H26N2O2/c1-5-17-10-12-9-15(19-3)14-11-18(6-2)8-7-13(14)16(12)20-4/h9,17H,5-8,10-11H2,1-4H3
InChIKeyOYNUOPHBKUETLF-UHFFFAOYSA-N
XLogP2.19
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methanamine
CID 83956740
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
N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 83956970
methyl 5,8-dimethoxy-6-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83956467
2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline
CID 110457114
ethyl 6-(aminomethyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83956458
(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol
CID 84676076
methyl 1-ethyl-6-[(2-hydroxyethylamino)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721693
ethyl 6-[(2-hydroxyethylamino)methyl]-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721669
6-ethyl-3-(ethylaminomethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521683
ethyl 6-ethyl-2-[[2-(2-methoxyphenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 17468013

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine?
The IUPAC name of N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine (CID 83956744) is N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine is CCNCc1cc(OC)c2c(c1OC)CCN(CC)C2.
What is the InChIKey of N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine?
The InChIKey is OYNUOPHBKUETLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-17-10-12-9-15(19-3)14-11-18(6-2)8-7-13(14)16(12)20-4/h9,17H,5-8,10-11H2,1-4H3.
What are the key properties of N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine?
N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine is sourced from PubChem (CID 83956744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).