6-chloro-9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol

C20H18ClFN2O — CID 3025621

IUPAC6-chloro-9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESOC1CCCc2nc3cc(Cl)ccc3c(NCc3ccc(F)cc3)c21
InChIInChI=1S/C20H18ClFN2O/c21-13-6-9-15-17(10-13)24-16-2-1-3-18(25)19(16)20(15)23-11-12-4-7-14(22)8-5-12/h4-10,18,25H,1-3,11H2,(H,23,24)
InChIKeyWUNJSFUQRGEAEJ-UHFFFAOYSA-N
MW356.83 g/mol
LogP5.01
Rot. Bonds3

About 6-chloro-9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol

6-chloro-9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol (PubChem CID 3025621) has the molecular formula C20H18ClFN2O and a molecular weight of 356.83 g/mol. Its IUPAC name is 6-chloro-9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol.

Molecular Properties

Compound Name6-chloro-9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
PubChem CID3025621
Molecular FormulaC20H18ClFN2O
Molecular Weight356.83 g/mol
Exact Mass356.11
IUPAC Name6-chloro-9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol
SMILESOC1CCCc2nc3cc(Cl)ccc3c(NCc3ccc(F)cc3)c21
InChIInChI=1S/C20H18ClFN2O/c21-13-6-9-15-17(10-13)24-16-2-1-3-18(25)19(16)20(15)23-11-12-4-7-14(22)8-5-12/h4-10,18,25H,1-3,11H2,(H,23,24)
InChIKeyWUNJSFUQRGEAEJ-UHFFFAOYSA-N
XLogP5.01
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.83
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The IUPAC name of 6-chloro-9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol (CID 3025621) is 6-chloro-9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol.
What is the SMILES notation for 6-chloro-9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The canonical SMILES for 6-chloro-9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol is OC1CCCc2nc3cc(Cl)ccc3c(NCc3ccc(F)cc3)c21.
What is the InChIKey of 6-chloro-9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
The InChIKey is WUNJSFUQRGEAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O/c21-13-6-9-15-17(10-13)24-16-2-1-3-18(25)19(16)20(15)23-11-12-4-7-14(22)8-5-12/h4-10,18,25H,1-3,11H2,(H,23,24).
What are the key properties of 6-chloro-9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol?
6-chloro-9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol has a molecular weight of 356.83 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetrahydroacridin-1-ol is sourced from PubChem (CID 3025621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).