7-(4-chlorophenoxy)-1,2,3,4-tetrahydroacridin-9-amine

C19H17ClN2O — CID 44537308

IUPAC7-(4-chlorophenoxy)-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3ccc(Oc4ccc(Cl)cc4)cc13)CCCC2
InChIInChI=1S/C19H17ClN2O/c20-12-5-7-13(8-6-12)23-14-9-10-18-16(11-14)19(21)15-3-1-2-4-17(15)22-18/h5-11H,1-4H2,(H2,21,22)
InChIKeyAPFRPSBWVSEADR-UHFFFAOYSA-N
MW324.81 g/mol
LogP5.14
Rot. Bonds2

About 7-(4-chlorophenoxy)-1,2,3,4-tetrahydroacridin-9-amine

7-(4-chlorophenoxy)-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 44537308) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 7-(4-chlorophenoxy)-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name7-(4-chlorophenoxy)-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID44537308
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name7-(4-chlorophenoxy)-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3ccc(Oc4ccc(Cl)cc4)cc13)CCCC2
InChIInChI=1S/C19H17ClN2O/c20-12-5-7-13(8-6-12)23-14-9-10-18-16(11-14)19(21)15-3-1-2-4-17(15)22-18/h5-11H,1-4H2,(H2,21,22)
InChIKeyAPFRPSBWVSEADR-UHFFFAOYSA-N
XLogP5.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.81
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenoxy)-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 7-(4-chlorophenoxy)-1,2,3,4-tetrahydroacridin-9-amine (CID 44537308) is 7-(4-chlorophenoxy)-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 7-(4-chlorophenoxy)-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 7-(4-chlorophenoxy)-1,2,3,4-tetrahydroacridin-9-amine is Nc1c2c(nc3ccc(Oc4ccc(Cl)cc4)cc13)CCCC2.
What is the InChIKey of 7-(4-chlorophenoxy)-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is APFRPSBWVSEADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c20-12-5-7-13(8-6-12)23-14-9-10-18-16(11-14)19(21)15-3-1-2-4-17(15)22-18/h5-11H,1-4H2,(H2,21,22).
What are the key properties of 7-(4-chlorophenoxy)-1,2,3,4-tetrahydroacridin-9-amine?
7-(4-chlorophenoxy)-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 324.81 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenoxy)-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 44537308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).