2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid

C15H16FNO5 — CID 91969457

IUPAC2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid
SMILESFc1ccc(CCNCc2ccco2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C13H14FNO.C2H2O4/c14-12-5-3-11(4-6-12)7-8-15-10-13-2-1-9-16-13;3-1(4)2(5)6/h1-6,9,15H,7-8,10H2;(H,3,4)(H,5,6)
InChIKeyANKUVYSPNCZSHX-UHFFFAOYSA-N
MW309.29 g/mol
LogP1.91
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid

2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid (PubChem CID 91969457) has the molecular formula C15H16FNO5 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid
PubChem CID91969457
Molecular FormulaC15H16FNO5
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid
SMILESFc1ccc(CCNCc2ccco2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C13H14FNO.C2H2O4/c14-12-5-3-11(4-6-12)7-8-15-10-13-2-1-9-16-13;3-1(4)2(5)6/h1-6,9,15H,7-8,10H2;(H,3,4)(H,5,6)
InChIKeyANKUVYSPNCZSHX-UHFFFAOYSA-N
XLogP1.91
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.91
H-Bond Donors ≤ 53
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

N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid
CID 126477756
1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 8618969
1-(4-fluorophenyl)-3-(furan-2-ylmethylamino)propan-1-one
CID 94266793
N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55021280
2-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)ethanamine
CID 78955642
2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
CID 17331094
N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine;oxalic acid
CID 17078916
1-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)methanamine;oxalic acid
CID 17382599
N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine
CID 54884386
N-[2-(4-fluorophenyl)ethylcarbamoyl]furan-2-carboxamide
CID 110866126
2-(4-fluorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;oxalic acid
CID 17367876
2-(4-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 35335065

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid?
The IUPAC name of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid (CID 91969457) is 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid?
The canonical SMILES for 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid is Fc1ccc(CCNCc2ccco2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid?
The InChIKey is ANKUVYSPNCZSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO.C2H2O4/c14-12-5-3-11(4-6-12)7-8-15-10-13-2-1-9-16-13;3-1(4)2(5)6/h1-6,9,15H,7-8,10H2;(H,3,4)(H,5,6).
What are the key properties of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid?
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid has a molecular weight of 309.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid is sourced from PubChem (CID 91969457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).