2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine

C19H20N2O2 — CID 39226750

IUPAC2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine
SMILESCOc1cc(-c2cnc3ccccc3c2)cc(CCN)c1OC
InChIInChI=1S/C19H20N2O2/c1-22-18-11-15(10-14(7-8-20)19(18)23-2)16-9-13-5-3-4-6-17(13)21-12-16/h3-6,9-12H,7-8,20H2,1-2H3
InChIKeyTTYDWPDUZRPMMI-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.42
Rot. Bonds5

About 2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine

2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine (PubChem CID 39226750) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine
PubChem CID39226750
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine
SMILESCOc1cc(-c2cnc3ccccc3c2)cc(CCN)c1OC
InChIInChI=1S/C19H20N2O2/c1-22-18-11-15(10-14(7-8-20)19(18)23-2)16-9-13-5-3-4-6-17(13)21-12-16/h3-6,9-12H,7-8,20H2,1-2H3
InChIKeyTTYDWPDUZRPMMI-UHFFFAOYSA-N
XLogP3.42
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-fluorophenyl)-4,5-dimethoxyphenyl]quinoline
CID 67997706
2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine
CID 82039087
3-[3-(2-aminoethyl)-4,5-dimethoxyphenyl]aniline
CID 82038903
3-(2-methoxypyrimidin-5-yl)quinoline
CID 101347673
1-(3,4-dimethoxy-5-quinolin-3-ylphenyl)ethanone
CID 110447723
3-methoxy-6-quinolin-3-ylpyridin-2-amine
CID 82556278
3-[5-phenyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazol-4-yl]quinoline
CID 1370169
2-(3-methoxyquinolin-4-yl)ethanamine
CID 84670749
3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline
CID 102419790
7-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)quinoline
CID 162674614
2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine
CID 170886487
3-(2-aminoethyl)-4,5-dimethoxyphenol
CID 117287027

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine?
The IUPAC name of 2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine (CID 39226750) is 2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine.
What is the SMILES notation for 2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine?
The canonical SMILES for 2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine is COc1cc(-c2cnc3ccccc3c2)cc(CCN)c1OC.
What is the InChIKey of 2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine?
The InChIKey is TTYDWPDUZRPMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-22-18-11-15(10-14(7-8-20)19(18)23-2)16-9-13-5-3-4-6-17(13)21-12-16/h3-6,9-12H,7-8,20H2,1-2H3.
What are the key properties of 2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine?
2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine has a molecular weight of 308.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxy-5-quinolin-3-ylphenyl)ethanamine is sourced from PubChem (CID 39226750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).