2-[(E)-[1-(3,4-dichlorophenyl)-5-methoxypentylidene]amino]oxyethanamine

C14H20Cl2N2O2 — CID 164613441

IUPAC2-[(E)-[1-(3,4-dichlorophenyl)-5-methoxypentylidene]amino]oxyethanamine
SMILESCOCCCC/C(=N\OCCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2/c1-19-8-3-2-4-14(18-20-9-7-17)11-5-6-12(15)13(16)10-11/h5-6,10H,2-4,7-9,17H2,1H3/b18-14+
InChIKeyGHPBECDJKSNKHX-NBVRZTHBSA-N
MW319.23 g/mol
LogP3.49
Rot. Bonds9

About 2-[(E)-[1-(3,4-dichlorophenyl)-5-methoxypentylidene]amino]oxyethanamine

2-[(E)-[1-(3,4-dichlorophenyl)-5-methoxypentylidene]amino]oxyethanamine (PubChem CID 164613441) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-[(E)-[1-(3,4-dichlorophenyl)-5-methoxypentylidene]amino]oxyethanamine.

Molecular Properties

Compound Name2-[(E)-[1-(3,4-dichlorophenyl)-5-methoxypentylidene]amino]oxyethanamine
PubChem CID164613441
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name2-[(E)-[1-(3,4-dichlorophenyl)-5-methoxypentylidene]amino]oxyethanamine
SMILESCOCCCC/C(=N\OCCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O2/c1-19-8-3-2-4-14(18-20-9-7-17)11-5-6-12(15)13(16)10-11/h5-6,10H,2-4,7-9,17H2,1H3/b18-14+
InChIKeyGHPBECDJKSNKHX-NBVRZTHBSA-N
XLogP3.49
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.49
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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Related Compounds

Clovoxamine
CID 6335903
2-[(E)-[1-(4-chloro-2-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine
CID 164624411
2-[(E)-[1-(4-chloro-3-fluorophenyl)-5-methoxypentylidene]amino]oxyethanamine
CID 164628326
2-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]oxyacetamide
CID 12385423
Clovoxamine-d3
CID 68717
2-[(Z)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine
CID 5464200
(4Z)-4-(2-aminoethoxyimino)-4-(3,4-dichlorophenyl)butanoic acid
CID 44622394
2-[[1-(4-Chlorophenyl)-5-ethoxypentylidene]amino]oxyethanamine
CID 53644101
2-[[1-(4-Chlorophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine
CID 54146333
2-[[1-(4-Chlorophenyl)-6-ethoxyhexylidene]amino]oxyethanamine
CID 54189412
2-[(E)-[3-carboxy-1-(3,4-dichlorophenyl)propylidene]amino]oxyethylazanium
CID 58436787
(E)-1-(3,4-dichlorophenyl)-N,5-dimethoxypentan-1-imine
CID 58436798

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[1-(3,4-dichlorophenyl)-5-methoxypentylidene]amino]oxyethanamine?
The IUPAC name of 2-[(E)-[1-(3,4-dichlorophenyl)-5-methoxypentylidene]amino]oxyethanamine (CID 164613441) is 2-[(E)-[1-(3,4-dichlorophenyl)-5-methoxypentylidene]amino]oxyethanamine.
What is the SMILES notation for 2-[(E)-[1-(3,4-dichlorophenyl)-5-methoxypentylidene]amino]oxyethanamine?
The canonical SMILES for 2-[(E)-[1-(3,4-dichlorophenyl)-5-methoxypentylidene]amino]oxyethanamine is COCCCC/C(=N\OCCN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(E)-[1-(3,4-dichlorophenyl)-5-methoxypentylidene]amino]oxyethanamine?
The InChIKey is GHPBECDJKSNKHX-NBVRZTHBSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-19-8-3-2-4-14(18-20-9-7-17)11-5-6-12(15)13(16)10-11/h5-6,10H,2-4,7-9,17H2,1H3/b18-14+.
What are the key properties of 2-[(E)-[1-(3,4-dichlorophenyl)-5-methoxypentylidene]amino]oxyethanamine?
2-[(E)-[1-(3,4-dichlorophenyl)-5-methoxypentylidene]amino]oxyethanamine has a molecular weight of 319.23 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[1-(3,4-dichlorophenyl)-5-methoxypentylidene]amino]oxyethanamine is sourced from PubChem (CID 164613441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).