2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine

C13H20N2O2 — CID 84628399

IUPAC2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine
SMILESCOc1cc2c(c(OC)c1)CCC(CCN)N2
InChIInChI=1S/C13H20N2O2/c1-16-10-7-12-11(13(8-10)17-2)4-3-9(15-12)5-6-14/h7-9,15H,3-6,14H2,1-2H3
InChIKeyASDPXAHYWSLPGF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.78
Rot. Bonds4

About 2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine

2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine (PubChem CID 84628399) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine
PubChem CID84628399
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine
SMILESCOc1cc2c(c(OC)c1)CCC(CCN)N2
InChIInChI=1S/C13H20N2O2/c1-16-10-7-12-11(13(8-10)17-2)4-3-9(15-12)5-6-14/h7-9,15H,3-6,14H2,1-2H3
InChIKeyASDPXAHYWSLPGF-UHFFFAOYSA-N
XLogP1.78
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-4,6-dimethoxy-2,3-dihydro-1H-indene
CID 61384882
4,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
CID 61382953
(8-methoxy-5-methyl-1,2,3,4-tetrahydroquinolin-2-yl)methanamine
CID 84620741
2-(6-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanol
CID 105460503
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
[(2R)-7-methoxy-1,2,3,4-tetrahydroquinolin-2-yl]methanol
CID 130625960
3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol
CID 82159287
(4,6-dimethoxy-1,3-dihydro-2-benzofuran-1-yl)methanamine;hydrochloride
CID 70472623
(6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 129392139
(2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 125486481
(3S,4R)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 95241564

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine?
The IUPAC name of 2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine (CID 84628399) is 2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine?
The canonical SMILES for 2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine is COc1cc2c(c(OC)c1)CCC(CCN)N2.
What is the InChIKey of 2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine?
The InChIKey is ASDPXAHYWSLPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-16-10-7-12-11(13(8-10)17-2)4-3-9(15-12)5-6-14/h7-9,15H,3-6,14H2,1-2H3.
What are the key properties of 2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine?
2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine has a molecular weight of 236.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine is sourced from PubChem (CID 84628399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).