2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine

C22H24N2O3 — CID 51072137

IUPAC2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine
SMILESCc1ccccc1OCC(=O)O.Nc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C13H14N2.C9H10O3/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-7-4-2-3-5-8(7)12-6-9(10)11/h1,3,5,7H,2,4,6,8H2,(H2,14,15);2-5H,6H2,1H3,(H,10,11)
InChIKeyLMIQKASAUCCOBD-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.15
Rot. Bonds3

About 2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine

2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 51072137) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine
PubChem CID51072137
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine
SMILESCc1ccccc1OCC(=O)O.Nc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C13H14N2.C9H10O3/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-7-4-2-3-5-8(7)12-6-9(10)11/h1,3,5,7H,2,4,6,8H2,(H2,14,15);2-5H,6H2,1H3,(H,10,11)
InChIKeyLMIQKASAUCCOBD-UHFFFAOYSA-N
XLogP4.15
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 9247846
1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
CID 89284205
boric acid;1,2,3,4-tetrahydroacridin-9-amine
CID 70251064
1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345703
methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine
CID 159322065
2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;2-hydroxybenzoic acid
CID 6611504
2-(2-amino-3-methylphenoxy)acetic acid
CID 61261601
[2-(2-methylanilino)-2-oxoethyl] 6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylate
CID 23829628
5-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 611416
[2-(2-ethoxyanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2335274
2-(2-methylquinolin-4-yl)oxyacetic acid
CID 658584
4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63351532

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine (CID 51072137) is 2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine is Cc1ccccc1OCC(=O)O.Nc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is LMIQKASAUCCOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C9H10O3/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-7-4-2-3-5-8(7)12-6-9(10)11/h1,3,5,7H,2,4,6,8H2,(H2,14,15);2-5H,6H2,1H3,(H,10,11).
What are the key properties of 2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine?
2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 364.45 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 51072137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).