1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine

C34H34N4O — CID 158872103

IUPAC1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(/C=N/c2c3c(nc4ccccc24)CCCC3)cc1.Nc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H20N2O.C13H14N2/c1-24-16-12-10-15(11-13-16)14-22-21-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)21;14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h2,4,6,8,10-14H,3,5,7,9H2,1H3;1,3,5,7H,2,4,6,8H2,(H2,14,15)/b22-14+;
InChIKeyJBYXUMMJQKNEHW-CWUUNJJBSA-N
MW514.67 g/mol
LogP7.57
Rot. Bonds3

About 1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine

1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 158872103) has the molecular formula C34H34N4O and a molecular weight of 514.67 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine
PubChem CID158872103
Molecular FormulaC34H34N4O
Molecular Weight514.67 g/mol
Exact Mass514.27
IUPAC Name1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(/C=N/c2c3c(nc4ccccc24)CCCC3)cc1.Nc1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H20N2O.C13H14N2/c1-24-16-12-10-15(11-13-16)14-22-21-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)21;14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h2,4,6,8,10-14H,3,5,7,9H2,1H3;1,3,5,7H,2,4,6,8H2,(H2,14,15)/b22-14+;
InChIKeyJBYXUMMJQKNEHW-CWUUNJJBSA-N
XLogP7.57
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
CID 89284205
boric acid;1,2,3,4-tetrahydroacridin-9-amine
CID 70251064
methyliodanuidylethane;1,2,3,4-tetrahydroacridin-9-amine
CID 159322065
2-(2-methoxyphenoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 164597055
(4-methoxyphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239887
1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345703
N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432395
4-(acridin-9-yliminomethyl)phenol
CID 3905798
2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine
CID 51072137
(4-methoxyphenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 16578464
6-phenyl-1,2,3,4-tetrahydroacridin-9-amine
CID 19804321
2-(4-methoxyphenyl)ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 7839905

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine (CID 158872103) is 1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine is COc1ccc(/C=N/c2c3c(nc4ccccc24)CCCC3)cc1.Nc1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is JBYXUMMJQKNEHW-CWUUNJJBSA-N. The full InChI is InChI=1S/C21H20N2O.C13H14N2/c1-24-16-12-10-15(11-13-16)14-22-21-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)21;14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h2,4,6,8,10-14H,3,5,7,9H2,1H3;1,3,5,7H,2,4,6,8H2,(H2,14,15)/b22-14+;.
What are the key properties of 1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine?
1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 514.67 g/mol, XLogP of 7.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)methanimine;1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 158872103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).