N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid

C15H22FNO7 — CID 2869912

IUPACN-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid
SMILESCOCCNCCOCCOc1ccc(F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C13H20FNO3.C2H2O4/c1-16-8-6-15-7-9-17-10-11-18-13-4-2-12(14)3-5-13;3-1(4)2(5)6/h2-5,15H,6-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyNZECJOSPEUMUHC-UHFFFAOYSA-N
MW347.34 g/mol
LogP0.61
Rot. Bonds10

About N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid

N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid (PubChem CID 2869912) has the molecular formula C15H22FNO7 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid
PubChem CID2869912
Molecular FormulaC15H22FNO7
Molecular Weight347.34 g/mol
Exact Mass347.14
IUPAC NameN-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid
SMILESCOCCNCCOCCOc1ccc(F)cc1.O=C(O)C(=O)O
InChIInChI=1S/C13H20FNO3.C2H2O4/c1-16-8-6-15-7-9-17-10-11-18-13-4-2-12(14)3-5-13;3-1(4)2(5)6/h2-5,15H,6-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyNZECJOSPEUMUHC-UHFFFAOYSA-N
XLogP0.61
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 50.61
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-(3,4-dichlorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid
CID 2923315
2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol
CID 2280472
N-[2-[2-(2-bromophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid
CID 2869779
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
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995
N-[2-(3,4-dimethylphenoxy)ethyl]-2-methoxyethanamine;oxalic acid
CID 2865858
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
methyl 4-[2-[2-(benzylamino)ethoxy]ethoxy]benzoate;oxalic acid
CID 2935639
N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2923613
3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2869969
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid?
The IUPAC name of N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid (CID 2869912) is N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid.
What is the SMILES notation for N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid?
The canonical SMILES for N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid is COCCNCCOCCOc1ccc(F)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid?
The InChIKey is NZECJOSPEUMUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3.C2H2O4/c1-16-8-6-15-7-9-17-10-11-18-13-4-2-12(14)3-5-13;3-1(4)2(5)6/h2-5,15H,6-11H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid?
N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid has a molecular weight of 347.34 g/mol, XLogP of 0.61, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]-2-methoxyethanamine;oxalic acid is sourced from PubChem (CID 2869912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).