9-(3-phenoxypropylamino)-1,2,3,4-tetrahydroacridin-1-ol

C22H24N2O2 — CID 3025629

IUPAC9-(3-phenoxypropylamino)-1,2,3,4-tetrahydroacridin-1-ol
SMILESOC1CCCc2nc3ccccc3c(NCCCOc3ccccc3)c21
InChIInChI=1S/C22H24N2O2/c25-20-13-6-12-19-21(20)22(17-10-4-5-11-18(17)24-19)23-14-7-15-26-16-8-2-1-3-9-16/h1-5,8-11,20,25H,6-7,12-15H2,(H,23,24)
InChIKeyOMPBZSLBVKDSJL-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.49
Rot. Bonds6

About 9-(3-phenoxypropylamino)-1,2,3,4-tetrahydroacridin-1-ol

9-(3-phenoxypropylamino)-1,2,3,4-tetrahydroacridin-1-ol (PubChem CID 3025629) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 9-(3-phenoxypropylamino)-1,2,3,4-tetrahydroacridin-1-ol.

Molecular Properties

Compound Name9-(3-phenoxypropylamino)-1,2,3,4-tetrahydroacridin-1-ol
PubChem CID3025629
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name9-(3-phenoxypropylamino)-1,2,3,4-tetrahydroacridin-1-ol
SMILESOC1CCCc2nc3ccccc3c(NCCCOc3ccccc3)c21
InChIInChI=1S/C22H24N2O2/c25-20-13-6-12-19-21(20)22(17-10-4-5-11-18(17)24-19)23-14-7-15-26-16-8-2-1-3-9-16/h1-5,8-11,20,25H,6-7,12-15H2,(H,23,24)
InChIKeyOMPBZSLBVKDSJL-UHFFFAOYSA-N
XLogP4.49
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(3-phenoxypropylamino)-1,2,3,4-tetrahydroacridin-1-ol?
The IUPAC name of 9-(3-phenoxypropylamino)-1,2,3,4-tetrahydroacridin-1-ol (CID 3025629) is 9-(3-phenoxypropylamino)-1,2,3,4-tetrahydroacridin-1-ol.
What is the SMILES notation for 9-(3-phenoxypropylamino)-1,2,3,4-tetrahydroacridin-1-ol?
The canonical SMILES for 9-(3-phenoxypropylamino)-1,2,3,4-tetrahydroacridin-1-ol is OC1CCCc2nc3ccccc3c(NCCCOc3ccccc3)c21.
What is the InChIKey of 9-(3-phenoxypropylamino)-1,2,3,4-tetrahydroacridin-1-ol?
The InChIKey is OMPBZSLBVKDSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-20-13-6-12-19-21(20)22(17-10-4-5-11-18(17)24-19)23-14-7-15-26-16-8-2-1-3-9-16/h1-5,8-11,20,25H,6-7,12-15H2,(H,23,24).
What are the key properties of 9-(3-phenoxypropylamino)-1,2,3,4-tetrahydroacridin-1-ol?
9-(3-phenoxypropylamino)-1,2,3,4-tetrahydroacridin-1-ol has a molecular weight of 348.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-phenoxypropylamino)-1,2,3,4-tetrahydroacridin-1-ol is sourced from PubChem (CID 3025629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).