9-[(4-methylphenyl)methyl]acridine;hydrochloride

C21H18ClN — CID 90679776

IUPAC9-[(4-methylphenyl)methyl]acridine;hydrochloride
SMILESCc1ccc(Cc2c3ccccc3nc3ccccc23)cc1.Cl
InChIInChI=1S/C21H17N.ClH/c1-15-10-12-16(13-11-15)14-19-17-6-2-4-8-20(17)22-21-9-5-3-7-18(19)21;/h2-13H,14H2,1H3;1H
InChIKeyZSPMDKYUURTTFO-UHFFFAOYSA-N
MW319.84 g/mol
LogP5.71
Rot. Bonds2

About 9-[(4-methylphenyl)methyl]acridine;hydrochloride

9-[(4-methylphenyl)methyl]acridine;hydrochloride (PubChem CID 90679776) has the molecular formula C21H18ClN and a molecular weight of 319.84 g/mol. Its IUPAC name is 9-[(4-methylphenyl)methyl]acridine;hydrochloride.

Molecular Properties

Compound Name9-[(4-methylphenyl)methyl]acridine;hydrochloride
PubChem CID90679776
Molecular FormulaC21H18ClN
Molecular Weight319.84 g/mol
Exact Mass319.11
IUPAC Name9-[(4-methylphenyl)methyl]acridine;hydrochloride
SMILESCc1ccc(Cc2c3ccccc3nc3ccccc23)cc1.Cl
InChIInChI=1S/C21H17N.ClH/c1-15-10-12-16(13-11-15)14-19-17-6-2-4-8-20(17)22-21-9-5-3-7-18(19)21;/h2-13H,14H2,1H3;1H
InChIKeyZSPMDKYUURTTFO-UHFFFAOYSA-N
XLogP5.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.84
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[(4-methylphenyl)methyl]acridine;hydrochloride 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

4-(acridin-9-ylmethyl)benzonitrile;hydrochloride
CID 90679767
9-[(3,4-dimethoxyphenyl)methyl]acridine;hydrochloride
CID 117068960
acridin-9-ylmethanamine;hydrochloride
CID 146014034
1-benzyl-4-methylbenzene;toluene
CID 144690555
1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline
CID 160837559
9-(8-acridin-9-yloctyl)acridine
CID 10504492
9-butylacridine
CID 606127
3-[(4-methylphenyl)methyl]-1H-indole-2-thiol
CID 54671702
4-[[4-(aminomethyl)phenyl]methyl]-3-pentylquinolin-2-amine;dihydrochloride
CID 126622257
6-methyl-2-[4-[[10-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]methyl]phenyl]-1,3-benzothiazole
CID 126498869
2-(2-methylacridin-9-yl)ethanamine
CID 170887950
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158

Frequently Asked Questions

What is the IUPAC name of 9-[(4-methylphenyl)methyl]acridine;hydrochloride?
The IUPAC name of 9-[(4-methylphenyl)methyl]acridine;hydrochloride (CID 90679776) is 9-[(4-methylphenyl)methyl]acridine;hydrochloride.
What is the SMILES notation for 9-[(4-methylphenyl)methyl]acridine;hydrochloride?
The canonical SMILES for 9-[(4-methylphenyl)methyl]acridine;hydrochloride is Cc1ccc(Cc2c3ccccc3nc3ccccc23)cc1.Cl.
What is the InChIKey of 9-[(4-methylphenyl)methyl]acridine;hydrochloride?
The InChIKey is ZSPMDKYUURTTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N.ClH/c1-15-10-12-16(13-11-15)14-19-17-6-2-4-8-20(17)22-21-9-5-3-7-18(19)21;/h2-13H,14H2,1H3;1H.
What are the key properties of 9-[(4-methylphenyl)methyl]acridine;hydrochloride?
9-[(4-methylphenyl)methyl]acridine;hydrochloride has a molecular weight of 319.84 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methylphenyl)methyl]acridine;hydrochloride is sourced from PubChem (CID 90679776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).