2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine

C14H20Cl2N2O3 — CID 88810610

IUPAC2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine
SMILESCOCCOCCC(=NOCCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O3/c1-19-8-9-20-6-4-14(18-21-7-5-17)11-2-3-12(15)13(16)10-11/h2-3,10H,4-9,17H2,1H3
InChIKeyIMLPNFRANGWOFQ-UHFFFAOYSA-N
MW335.23 g/mol
LogP2.73
Rot. Bonds10

About 2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine

2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine (PubChem CID 88810610) has the molecular formula C14H20Cl2N2O3 and a molecular weight of 335.23 g/mol. Its IUPAC name is 2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine.

Molecular Properties

Compound Name2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine
PubChem CID88810610
Molecular FormulaC14H20Cl2N2O3
Molecular Weight335.23 g/mol
Exact Mass334.09
IUPAC Name2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine
SMILESCOCCOCCC(=NOCCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O3/c1-19-8-9-20-6-4-14(18-21-7-5-17)11-2-3-12(15)13(16)10-11/h2-3,10H,4-9,17H2,1H3
InChIKeyIMLPNFRANGWOFQ-UHFFFAOYSA-N
XLogP2.73
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 52.73
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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Related Compounds

7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile
CID 88810855
1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one
CID 70626550
2-[[1-(4-bromophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine;but-2-enedioic acid
CID 173452318
2-[[1-(4-bromophenyl)-5-(2-methoxyethoxy)pentylidene]amino]oxyethanamine;(E)-but-2-enedioic acid
CID 88812782
1-(3,4-dichlorophenyl)-4-methoxybutan-1-one
CID 65091899
(1Z)-1-(3,4-dichlorophenyl)-1-methoxyiminoheptan-4-one
CID 123450309
(4E)-4-(3,4-dichlorophenyl)-4-methoxyimino-N-phenylbutanamide
CID 87388083
N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide
CID 75083635
cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate
CID 75083508
(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide
CID 45101354
2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine
CID 154348891
1-(3,4-dichlorophenyl)-N-methoxy-3-(2H-tetrazol-5-yl)propan-1-imine
CID 75083513

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine?
The IUPAC name of 2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine (CID 88810610) is 2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine.
What is the SMILES notation for 2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine?
The canonical SMILES for 2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine is COCCOCCC(=NOCCN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine?
The InChIKey is IMLPNFRANGWOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3/c1-19-8-9-20-6-4-14(18-21-7-5-17)11-2-3-12(15)13(16)10-11/h2-3,10H,4-9,17H2,1H3.
What are the key properties of 2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine?
2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine has a molecular weight of 335.23 g/mol, XLogP of 2.73, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine is sourced from PubChem (CID 88810610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).