methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate

C16H18FNO3 — CID 78807510

IUPACmethyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate
SMILESCCN(Cc1cccc(F)c1)Cc1ccc(C(=O)OC)o1
InChIInChI=1S/C16H18FNO3/c1-3-18(10-12-5-4-6-13(17)9-12)11-14-7-8-15(21-14)16(19)20-2/h4-9H,3,10-11H2,1-2H3
InChIKeyFGCICKNKCNYRGL-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.23
Rot. Bonds6

About methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate

methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate (PubChem CID 78807510) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate
PubChem CID78807510
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Namemethyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate
SMILESCCN(Cc1cccc(F)c1)Cc1ccc(C(=O)OC)o1
InChIInChI=1S/C16H18FNO3/c1-3-18(10-12-5-4-6-13(17)9-12)11-14-7-8-15(21-14)16(19)20-2/h4-9H,3,10-11H2,1-2H3
InChIKeyFGCICKNKCNYRGL-UHFFFAOYSA-N
XLogP3.23
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
CID 78807669
5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 42753705
5-[[(4-ethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 4641172
5-[[(3-fluorophenyl)methyl-[(3-nitrophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750665
5-[[(3,4-dimethoxyphenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]-N-(3-methylbutan-2-yl)furan-2-carboxamide
CID 42751023
[5-[[(3-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 1200054
5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42753699
methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 24714243
methyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate
CID 103749274
5-[[(3-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 42753728
5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide
CID 63584129
N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide
CID 42750705

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate (CID 78807510) is methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate is CCN(Cc1cccc(F)c1)Cc1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate?
The InChIKey is FGCICKNKCNYRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-3-18(10-12-5-4-6-13(17)9-12)11-14-7-8-15(21-14)16(19)20-2/h4-9H,3,10-11H2,1-2H3.
What are the key properties of methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate?
methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate has a molecular weight of 291.32 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 78807510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).