5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine

C15H17ClN2 — CID 63480213

IUPAC5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCNc1c2c(nc3c(Cl)cc(C)cc13)CCCC2
InChIInChI=1S/C15H17ClN2/c1-9-7-11-14(17-2)10-5-3-4-6-13(10)18-15(11)12(16)8-9/h7-8H,3-6H2,1-2H3,(H,17,18)
InChIKeyPBKKGCHUZKORRD-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.12
Rot. Bonds1

About 5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine

5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 63480213) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID63480213
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCNc1c2c(nc3c(Cl)cc(C)cc13)CCCC2
InChIInChI=1S/C15H17ClN2/c1-9-7-11-14(17-2)10-5-3-4-6-13(10)18-15(11)12(16)8-9/h7-8H,3-6H2,1-2H3,(H,17,18)
InChIKeyPBKKGCHUZKORRD-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine (CID 63480213) is 5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine is CNc1c2c(nc3c(Cl)cc(C)cc13)CCCC2.
What is the InChIKey of 5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is PBKKGCHUZKORRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-9-7-11-14(17-2)10-5-3-4-6-13(10)18-15(11)12(16)8-9/h7-8H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine?
5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 260.77 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,7-dimethyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 63480213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).