2-[[1-(4-chlorophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine

C16H25ClN2O3 — CID 54146333

IUPAC2-[[1-(4-chlorophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine
SMILESCOCCOCCCCC(=NOCCN)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O3/c1-20-12-13-21-10-3-2-4-16(19-22-11-9-18)14-5-7-15(17)8-6-14/h5-8H,2-4,9-13,18H2,1H3
InChIKeyOEQJSNUNOXZGTK-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.85
Rot. Bonds12

About 2-[[1-(4-chlorophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine

2-[[1-(4-chlorophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine (PubChem CID 54146333) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine
PubChem CID54146333
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name2-[[1-(4-chlorophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine
SMILESCOCCOCCCCC(=NOCCN)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O3/c1-20-12-13-21-10-3-2-4-16(19-22-11-9-18)14-5-7-15(17)8-6-14/h5-8H,2-4,9-13,18H2,1H3
InChIKeyOEQJSNUNOXZGTK-UHFFFAOYSA-N
XLogP2.85
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine?
The IUPAC name of 2-[[1-(4-chlorophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine (CID 54146333) is 2-[[1-(4-chlorophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine is COCCOCCCCC(=NOCCN)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine?
The InChIKey is OEQJSNUNOXZGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3/c1-20-12-13-21-10-3-2-4-16(19-22-11-9-18)14-5-7-15(17)8-6-14/h5-8H,2-4,9-13,18H2,1H3.
What are the key properties of 2-[[1-(4-chlorophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine?
2-[[1-(4-chlorophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine has a molecular weight of 328.84 g/mol, XLogP of 2.85, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine is sourced from PubChem (CID 54146333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).