9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol

C29H28F2N2O — CID 3025628

IUPAC9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESOC1CCCc2nc3ccccc3c(NCCCC(c3ccc(F)cc3)c3ccc(F)cc3)c21
InChIInChI=1S/C29H28F2N2O/c30-21-14-10-19(11-15-21)23(20-12-16-22(31)17-13-20)6-4-18-32-29-24-5-1-2-7-25(24)33-26-8-3-9-27(34)28(26)29/h1-2,5,7,10-17,23,27,34H,3-4,6,8-9,18H2,(H,32,33)
InChIKeyWFEGXUFMYIXSFD-UHFFFAOYSA-N
MW458.55 g/mol
LogP6.91
Rot. Bonds7

About 9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol

9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol (PubChem CID 3025628) has the molecular formula C29H28F2N2O and a molecular weight of 458.55 g/mol. Its IUPAC name is 9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol.

Molecular Properties

Compound Name9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol
PubChem CID3025628
Molecular FormulaC29H28F2N2O
Molecular Weight458.55 g/mol
Exact Mass458.22
IUPAC Name9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESOC1CCCc2nc3ccccc3c(NCCCC(c3ccc(F)cc3)c3ccc(F)cc3)c21
InChIInChI=1S/C29H28F2N2O/c30-21-14-10-19(11-15-21)23(20-12-16-22(31)17-13-20)6-4-18-32-29-24-5-1-2-7-25(24)33-26-8-3-9-27(34)28(26)29/h1-2,5,7,10-17,23,27,34H,3-4,6,8-9,18H2,(H,32,33)
InChIKeyWFEGXUFMYIXSFD-UHFFFAOYSA-N
XLogP6.91
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.55
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol with MolForge

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Related Compounds

Velnacrine
CID 3655
Suronacrine
CID 60601
1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-fluoro-
CID 3025607
1-Acridinol, 1,2,3,4-tetrahydro-6-fluoro-9-((phenylmethyl)amino)-
CID 3025610
9-(Benzylimino)-6-chloro-1,2,3,4,9,10-hexahydroacridin-1-ol
CID 3025611
1-Acridinol, 1,2,3,4-tetrahydro-9-(((2-methylphenyl)methyl)amino)-
CID 3025613
1-Acridinol, 1,2,3,4-tetrahydro-9-(((3-methylphenyl)methyl)amino)-
CID 3025614
1-Acridinol, 1,2,3,4-tetrahydro-9-(((2-methoxyphenyl)methyl)amino)-
CID 3025616
1-Acridinol, 1,2,3,4-tetrahydro-9-(((3-fluorophenyl)methyl)amino)-
CID 3025619
1-Acridinol, 1,2,3,4-tetrahydro-6-chloro-9-(((4-fluorophenyl)methyl)amino)-
CID 3025621
1-Acridinol, 1,2,3,4-tetrahydro-9-(((2-chlorophenyl)methyl)amino)-
CID 3025622
9-(((2-(Trifluoromethyl)phenyl)methyl)imino)-1,2,3,4,9,10-hexahydroacridin-1-ol
CID 3025624

Frequently Asked Questions

What is the IUPAC name of 9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The IUPAC name of 9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol (CID 3025628) is 9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol.
What is the SMILES notation for 9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The canonical SMILES for 9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol is OC1CCCc2nc3ccccc3c(NCCCC(c3ccc(F)cc3)c3ccc(F)cc3)c21.
What is the InChIKey of 9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The InChIKey is WFEGXUFMYIXSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N2O/c30-21-14-10-19(11-15-21)23(20-12-16-22(31)17-13-20)6-4-18-32-29-24-5-1-2-7-25(24)33-26-8-3-9-27(34)28(26)29/h1-2,5,7,10-17,23,27,34H,3-4,6,8-9,18H2,(H,32,33).
What are the key properties of 9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol?
9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol has a molecular weight of 458.55 g/mol, XLogP of 6.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol is sourced from PubChem (CID 3025628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).