2-[[1-(4-chlorophenyl)-6-ethoxyhexylidene]amino]oxyethanamine

C16H25ClN2O2 — CID 54189412

IUPAC2-[[1-(4-chlorophenyl)-6-ethoxyhexylidene]amino]oxyethanamine
SMILESCCOCCCCCC(=NOCCN)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O2/c1-2-20-12-5-3-4-6-16(19-21-13-11-18)14-7-9-15(17)10-8-14/h7-10H,2-6,11-13,18H2,1H3
InChIKeyPHLBDQNBRPLXNO-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.62
Rot. Bonds11

About 2-[[1-(4-chlorophenyl)-6-ethoxyhexylidene]amino]oxyethanamine

2-[[1-(4-chlorophenyl)-6-ethoxyhexylidene]amino]oxyethanamine (PubChem CID 54189412) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-6-ethoxyhexylidene]amino]oxyethanamine.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-6-ethoxyhexylidene]amino]oxyethanamine
PubChem CID54189412
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-[[1-(4-chlorophenyl)-6-ethoxyhexylidene]amino]oxyethanamine
SMILESCCOCCCCCC(=NOCCN)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O2/c1-2-20-12-5-3-4-6-16(19-21-13-11-18)14-7-9-15(17)10-8-14/h7-10H,2-6,11-13,18H2,1H3
InChIKeyPHLBDQNBRPLXNO-UHFFFAOYSA-N
XLogP3.62
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-6-ethoxyhexylidene]amino]oxyethanamine?
The IUPAC name of 2-[[1-(4-chlorophenyl)-6-ethoxyhexylidene]amino]oxyethanamine (CID 54189412) is 2-[[1-(4-chlorophenyl)-6-ethoxyhexylidene]amino]oxyethanamine.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-6-ethoxyhexylidene]amino]oxyethanamine?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-6-ethoxyhexylidene]amino]oxyethanamine is CCOCCCCCC(=NOCCN)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-6-ethoxyhexylidene]amino]oxyethanamine?
The InChIKey is PHLBDQNBRPLXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-2-20-12-5-3-4-6-16(19-21-13-11-18)14-7-9-15(17)10-8-14/h7-10H,2-6,11-13,18H2,1H3.
What are the key properties of 2-[[1-(4-chlorophenyl)-6-ethoxyhexylidene]amino]oxyethanamine?
2-[[1-(4-chlorophenyl)-6-ethoxyhexylidene]amino]oxyethanamine has a molecular weight of 312.84 g/mol, XLogP of 3.62, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-6-ethoxyhexylidene]amino]oxyethanamine is sourced from PubChem (CID 54189412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).