N-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid

C15H21Cl2NO7 — CID 2923315

IUPACN-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid
SMILESCOCCNCCOCCOc1ccc(Cl)c(Cl)c1.O=C(O)C(=O)O
InChIInChI=1S/C13H19Cl2NO3.C2H2O4/c1-17-6-4-16-5-7-18-8-9-19-11-2-3-12(14)13(15)10-11;3-1(4)2(5)6/h2-3,10,16H,4-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyYIEGWXFVGBGDNH-UHFFFAOYSA-N
MW398.24 g/mol
LogP1.78
Rot. Bonds10

About N-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid

N-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid (PubChem CID 2923315) has the molecular formula C15H21Cl2NO7 and a molecular weight of 398.24 g/mol. Its IUPAC name is N-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid.

Molecular Properties

Compound NameN-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid
PubChem CID2923315
Molecular FormulaC15H21Cl2NO7
Molecular Weight398.24 g/mol
Exact Mass397.07
IUPAC NameN-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid
SMILESCOCCNCCOCCOc1ccc(Cl)c(Cl)c1.O=C(O)C(=O)O
InChIInChI=1S/C13H19Cl2NO3.C2H2O4/c1-17-6-4-16-5-7-18-8-9-19-11-2-3-12(14)13(15)10-11;3-1(4)2(5)6/h2-3,10,16H,4-9H2,1H3;(H,3,4)(H,5,6)
InChIKeyYIEGWXFVGBGDNH-UHFFFAOYSA-N
XLogP1.78
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid
CID 2869912
N-[2-(3,4-dichlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 2581257
N-[2-[2-(2,5-dichlorophenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine;oxalic acid
CID 2869977
N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxyethanamine;oxalic acid
CID 2865858
N-[2-[2-(2-bromophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid
CID 2869779
N-[2-[2-(2,4-dichloro-6-methylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine;oxalic acid
CID 2869711
2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952
N-[2-(3,4-dichlorophenoxy)ethyl]acetamide
CID 51066305
3-(3,4-dichlorophenoxy)propylcarbamic acid
CID 89477736
2-[2-[2-(4-bromophenoxy)ethoxy]ethylamino]ethanol;oxalic acid
CID 2869727
N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]butan-1-amine;oxalic acid
CID 2869793
2-chloro-4-(2-methoxyethoxy)phenol
CID 125116302

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid?
The IUPAC name of N-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid (CID 2923315) is N-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid.
What is the SMILES notation for N-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid?
The canonical SMILES for N-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid is COCCNCCOCCOc1ccc(Cl)c(Cl)c1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid?
The InChIKey is YIEGWXFVGBGDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO3.C2H2O4/c1-17-6-4-16-5-7-18-8-9-19-11-2-3-12(14)13(15)10-11;3-1(4)2(5)6/h2-3,10,16H,4-9H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid?
N-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid has a molecular weight of 398.24 g/mol, XLogP of 1.78, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid is sourced from PubChem (CID 2923315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).