N-(2,5-dimethoxyphenyl)acridin-9-amine

C21H18N2O2 — CID 2951506

IUPACN-(2,5-dimethoxyphenyl)acridin-9-amine
SMILESCOc1ccc(OC)c(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C21H18N2O2/c1-24-14-11-12-20(25-2)19(13-14)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13H,1-2H3,(H,22,23)
InChIKeyYVQXFSMRTWYKKB-UHFFFAOYSA-N
MW330.39 g/mol
LogP5.15
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)acridin-9-amine

N-(2,5-dimethoxyphenyl)acridin-9-amine (PubChem CID 2951506) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)acridin-9-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)acridin-9-amine
PubChem CID2951506
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-(2,5-dimethoxyphenyl)acridin-9-amine
SMILESCOc1ccc(OC)c(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C21H18N2O2/c1-24-14-11-12-20(25-2)19(13-14)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13H,1-2H3,(H,22,23)
InChIKeyYVQXFSMRTWYKKB-UHFFFAOYSA-N
XLogP5.15
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.39
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(2,5-dimethoxyphenyl)acridin-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Amsacrine
CID 2179
Amsacrine Hydrochloride
CID 148673
6-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 3075610
9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
CID 3075611
1-Acridinol, 1,2,3,4-tetrahydro-9-(((2-methoxyphenyl)methyl)amino)-
CID 3025616
Acridine, 9-(p-anisidino)-
CID 43640
1-Acridinol, 1,2,3,4-tetrahydro-9-(((4-methoxyphenyl)methyl)amino)-
CID 3025618
Phenol, m-(9-acridinylamino)-
CID 148525
2-(4-methoxyphenyl)-N-(3-(piperidin-1-yl)propyl)quinolin-4-amine
CID 73050850
3-((6-Methoxy-2-methylquinolin-4-yl)amino)phenol hydrochloride
CID 2790585
N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 16077296
N-(2-methoxy-5-nitrophenyl)-9-acridinamine
CID 432004

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)acridin-9-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)acridin-9-amine (CID 2951506) is N-(2,5-dimethoxyphenyl)acridin-9-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)acridin-9-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)acridin-9-amine is COc1ccc(OC)c(Nc2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)acridin-9-amine?
The InChIKey is YVQXFSMRTWYKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-24-14-11-12-20(25-2)19(13-14)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13H,1-2H3,(H,22,23).
What are the key properties of N-(2,5-dimethoxyphenyl)acridin-9-amine?
N-(2,5-dimethoxyphenyl)acridin-9-amine has a molecular weight of 330.39 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)acridin-9-amine is sourced from PubChem (CID 2951506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).