9-[(4-methylphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol

C21H22N2O — CID 3025615

IUPAC9-[(4-methylphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESCc1ccc(CNc2c3c(nc4ccccc24)CCCC3O)cc1
InChIInChI=1S/C21H22N2O/c1-14-9-11-15(12-10-14)13-22-21-16-5-2-3-6-17(16)23-18-7-4-8-19(24)20(18)21/h2-3,5-6,9-12,19,24H,4,7-8,13H2,1H3,(H,22,23)
InChIKeyIRPHKCJBSAUIII-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.53
Rot. Bonds3

About 9-[(4-methylphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol

9-[(4-methylphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol (PubChem CID 3025615) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 9-[(4-methylphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol.

Molecular Properties

Compound Name9-[(4-methylphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
PubChem CID3025615
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name9-[(4-methylphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESCc1ccc(CNc2c3c(nc4ccccc24)CCCC3O)cc1
InChIInChI=1S/C21H22N2O/c1-14-9-11-15(12-10-14)13-22-21-16-5-2-3-6-17(16)23-18-7-4-8-19(24)20(18)21/h2-3,5-6,9-12,19,24H,4,7-8,13H2,1H3,(H,22,23)
InChIKeyIRPHKCJBSAUIII-UHFFFAOYSA-N
XLogP4.53
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-methylphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The IUPAC name of 9-[(4-methylphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol (CID 3025615) is 9-[(4-methylphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol.
What is the SMILES notation for 9-[(4-methylphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The canonical SMILES for 9-[(4-methylphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol is Cc1ccc(CNc2c3c(nc4ccccc24)CCCC3O)cc1.
What is the InChIKey of 9-[(4-methylphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The InChIKey is IRPHKCJBSAUIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-14-9-11-15(12-10-14)13-22-21-16-5-2-3-6-17(16)23-18-7-4-8-19(24)20(18)21/h2-3,5-6,9-12,19,24H,4,7-8,13H2,1H3,(H,22,23).
What are the key properties of 9-[(4-methylphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
9-[(4-methylphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol has a molecular weight of 318.42 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methylphenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol is sourced from PubChem (CID 3025615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).