2-[(E)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine

C14H21ClN2O2 — CID 6335903

IUPAC2-[(E)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine
SMILESCOCCCC/C(=N\OCCN)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11,16H2,1H3/b17-14+
InChIKeyXXPVSQRPGBUFKM-SAPNQHFASA-N
MW284.79 g/mol
LogP2.84
Rot. Bonds9

About 2-[(E)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine

2-[(E)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine (PubChem CID 6335903) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[(E)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine.

Molecular Properties

Compound Name2-[(E)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine
PubChem CID6335903
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[(E)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine
SMILESCOCCCC/C(=N\OCCN)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11,16H2,1H3/b17-14+
InChIKeyXXPVSQRPGBUFKM-SAPNQHFASA-N
XLogP2.84
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.84
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-[(E)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine?
The IUPAC name of 2-[(E)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine (CID 6335903) is 2-[(E)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine.
What is the SMILES notation for 2-[(E)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine?
The canonical SMILES for 2-[(E)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine is COCCCC/C(=N\OCCN)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(E)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine?
The InChIKey is XXPVSQRPGBUFKM-SAPNQHFASA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11,16H2,1H3/b17-14+.
What are the key properties of 2-[(E)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine?
2-[(E)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine has a molecular weight of 284.79 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine is sourced from PubChem (CID 6335903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).