6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine

C19H25ClN2 — CID 87257292

IUPAC6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILES[2H]CCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C19H25ClN2/c1-2-3-4-7-12-21-19-15-8-5-6-9-17(15)22-18-13-14(20)10-11-16(18)19/h10-11,13H,2-9,12H2,1H3,(H,21,22)/i1D
InChIKeyVFHIEHHHYFSTIU-MICDWDOJSA-N
MW317.88 g/mol
LogP5.76
Rot. Bonds7

About 6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine

6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 87257292) has the molecular formula C19H25ClN2 and a molecular weight of 317.88 g/mol. Its IUPAC name is 6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID87257292
Molecular FormulaC19H25ClN2
Molecular Weight317.88 g/mol
Exact Mass317.18
IUPAC Name6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine
SMILES[2H]CCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C19H25ClN2/c1-2-3-4-7-12-21-19-15-8-5-6-9-17(15)22-18-13-14(20)10-11-16(18)19/h10-11,13H,2-9,12H2,1H3,(H,21,22)/i1D
InChIKeyVFHIEHHHYFSTIU-MICDWDOJSA-N
XLogP5.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.88
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine (CID 87257292) is 6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine is [2H]CCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of 6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is VFHIEHHHYFSTIU-MICDWDOJSA-N. The full InChI is InChI=1S/C19H25ClN2/c1-2-3-4-7-12-21-19-15-8-5-6-9-17(15)22-18-13-14(20)10-11-16(18)19/h10-11,13H,2-9,12H2,1H3,(H,21,22)/i1D.
What are the key properties of 6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine?
6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 317.88 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(6-deuteriohexyl)-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 87257292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).