2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine

C23H28ClN3O — CID 153160658

IUPAC2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine
SMILESNCCOC1CCC2(CC1)Cc1ccccc1N/C2=N\Cc1cccc(Cl)c1
InChIInChI=1S/C23H28ClN3O/c24-19-6-3-4-17(14-19)16-26-22-23(10-8-20(9-11-23)28-13-12-25)15-18-5-1-2-7-21(18)27-22/h1-7,14,20H,8-13,15-16,25H2,(H,26,27)
InChIKeyWCHMIZQGYUAFOC-UHFFFAOYSA-N
MW397.95 g/mol
LogP4.81
Rot. Bonds5

About 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine

2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine (PubChem CID 153160658) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine
PubChem CID153160658
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine
SMILESNCCOC1CCC2(CC1)Cc1ccccc1N/C2=N\Cc1cccc(Cl)c1
InChIInChI=1S/C23H28ClN3O/c24-19-6-3-4-17(14-19)16-26-22-23(10-8-20(9-11-23)28-13-12-25)15-18-5-1-2-7-21(18)27-22/h1-7,14,20H,8-13,15-16,25H2,(H,26,27)
InChIKeyWCHMIZQGYUAFOC-UHFFFAOYSA-N
XLogP4.81
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine 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 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine?
The IUPAC name of 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine (CID 153160658) is 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine is NCCOC1CCC2(CC1)Cc1ccccc1N/C2=N\Cc1cccc(Cl)c1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine?
The InChIKey is WCHMIZQGYUAFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c24-19-6-3-4-17(14-19)16-26-22-23(10-8-20(9-11-23)28-13-12-25)15-18-5-1-2-7-21(18)27-22/h1-7,14,20H,8-13,15-16,25H2,(H,26,27).
What are the key properties of 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine?
2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine has a molecular weight of 397.95 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-cyclohexane]-1'-yl]oxyethanamine is sourced from PubChem (CID 153160658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).