methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate

C17H20FNO4 — CID 24715033

IUPACmethyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate
SMILESCOCCN(Cc1ccc(C(=O)OC)o1)Cc1ccccc1F
InChIInChI=1S/C17H20FNO4/c1-21-10-9-19(11-13-5-3-4-6-15(13)18)12-14-7-8-16(23-14)17(20)22-2/h3-8H,9-12H2,1-2H3
InChIKeyZWRGALMFFOPKFT-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.85
Rot. Bonds8

About methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate

methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate (PubChem CID 24715033) has the molecular formula C17H20FNO4 and a molecular weight of 321.35 g/mol. Its IUPAC name is methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate
PubChem CID24715033
Molecular FormulaC17H20FNO4
Molecular Weight321.35 g/mol
Exact Mass321.14
IUPAC Namemethyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate
SMILESCOCCN(Cc1ccc(C(=O)OC)o1)Cc1ccccc1F
InChIInChI=1S/C17H20FNO4/c1-21-10-9-19(11-13-5-3-4-6-15(13)18)12-14-7-8-16(23-14)17(20)22-2/h3-8H,9-12H2,1-2H3
InChIKeyZWRGALMFFOPKFT-UHFFFAOYSA-N
XLogP2.85
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578022
5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 3944188
methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
CID 78807669
methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate
CID 82969793
5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3908197
methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 24714243
methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate
CID 78807510
5-[5-[[(2-fluorophenyl)methyl-(3-methoxypropyl)amino]methyl]furan-2-yl]nona-1,8-dien-5-ol
CID 46017559
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-2-carbohydrazide
CID 55214616
methyl 5-[[2-(methoxymethyl)anilino]methyl]furan-2-carboxylate
CID 43779846
5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 3493325
methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012653

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate (CID 24715033) is methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate is COCCN(Cc1ccc(C(=O)OC)o1)Cc1ccccc1F.
What is the InChIKey of methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate?
The InChIKey is ZWRGALMFFOPKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4/c1-21-10-9-19(11-13-5-3-4-6-15(13)18)12-14-7-8-16(23-14)17(20)22-2/h3-8H,9-12H2,1-2H3.
What are the key properties of methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate?
methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate has a molecular weight of 321.35 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 24715033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).