4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid

C14H20FNO5 — CID 2935506

IUPAC4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
SMILESCN(C)CCCCOc1ccccc1F.O=C(O)C(=O)O
InChIInChI=1S/C12H18FNO.C2H2O4/c1-14(2)9-5-6-10-15-12-8-4-3-7-11(12)13;3-1(4)2(5)6/h3-4,7-8H,5-6,9-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyPZBZLNDFIPSSGC-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.70
Rot. Bonds6

About 4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid

4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid (PubChem CID 2935506) has the molecular formula C14H20FNO5 and a molecular weight of 301.31 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
PubChem CID2935506
Molecular FormulaC14H20FNO5
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
SMILESCN(C)CCCCOc1ccccc1F.O=C(O)C(=O)O
InChIInChI=1S/C12H18FNO.C2H2O4/c1-14(2)9-5-6-10-15-12-8-4-3-7-11(12)13;3-1(4)2(5)6/h3-4,7-8H,5-6,9-10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyPZBZLNDFIPSSGC-UHFFFAOYSA-N
XLogP1.70
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[2-(2-fluorophenoxy)ethyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992870
4-(2-fluorophenoxy)butan-2-one
CID 28948853
6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
CID 60952825
N,N-dimethyl-4-[4-(2-phenylpropan-2-yl)phenoxy]butan-1-amine;oxalic acid
CID 2934373
1-[4-(2-fluorophenoxy)butyl]azepane;oxalic acid
CID 2943940
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
3-(2-fluorophenoxy)propane-1-thiol
CID 79001947
N-[2-(2-fluorophenoxy)ethyl]-N-methylbutan-1-amine
CID 78791127
(2R)-2-ethoxy-N-[3-(2-fluorophenoxy)propyl]-N-methylpropanamide
CID 126423069
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-phenoxybenzamide
CID 18282160

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid?
The IUPAC name of 4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid (CID 2935506) is 4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid.
What is the SMILES notation for 4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid?
The canonical SMILES for 4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid is CN(C)CCCCOc1ccccc1F.O=C(O)C(=O)O.
What is the InChIKey of 4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid?
The InChIKey is PZBZLNDFIPSSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO.C2H2O4/c1-14(2)9-5-6-10-15-12-8-4-3-7-11(12)13;3-1(4)2(5)6/h3-4,7-8H,5-6,9-10H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid?
4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid has a molecular weight of 301.31 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid is sourced from PubChem (CID 2935506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).