methyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate

C16H18FNO3 — CID 103749274

IUPACmethyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate
SMILESCCN(Cc1ccc(C(=O)OC)c(F)c1)Cc1ccco1
InChIInChI=1S/C16H18FNO3/c1-3-18(11-13-5-4-8-21-13)10-12-6-7-14(15(17)9-12)16(19)20-2/h4-9H,3,10-11H2,1-2H3
InChIKeyDGBOFBZMCZVRKG-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.23
Rot. Bonds6

About methyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate

methyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate (PubChem CID 103749274) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is methyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate
PubChem CID103749274
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Namemethyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate
SMILESCCN(Cc1ccc(C(=O)OC)c(F)c1)Cc1ccco1
InChIInChI=1S/C16H18FNO3/c1-3-18(11-13-5-4-8-21-13)10-12-6-7-14(15(17)9-12)16(19)20-2/h4-9H,3,10-11H2,1-2H3
InChIKeyDGBOFBZMCZVRKG-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 4-[[butyl(ethyl)amino]methyl]-2-fluorobenzoate
CID 103749211
methyl 4-[[cyclopropylmethyl(ethyl)amino]methyl]-2-fluorobenzoate
CID 103749438
methyl 4-[[ethyl(2-methylbutyl)amino]methyl]-2-fluorobenzoate
CID 103749530
methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 24714243
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62461578
methyl 2-fluoro-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]benzoate
CID 106700305
methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate
CID 78807510
methyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate
CID 103749450
methyl 4-(2-bromoethyl)-2-fluorobenzoate
CID 174467510
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646008
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-ethylphenyl)ethanone
CID 62036997
methyl 4-[[2,2-dimethylpropyl(methyl)amino]methyl]-2-fluorobenzoate
CID 103749337

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate?
The IUPAC name of methyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate (CID 103749274) is methyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate.
What is the SMILES notation for methyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate?
The canonical SMILES for methyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate is CCN(Cc1ccc(C(=O)OC)c(F)c1)Cc1ccco1.
What is the InChIKey of methyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate?
The InChIKey is DGBOFBZMCZVRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-3-18(11-13-5-4-8-21-13)10-12-6-7-14(15(17)9-12)16(19)20-2/h4-9H,3,10-11H2,1-2H3.
What are the key properties of methyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate?
methyl 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate 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 4-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-fluorobenzoate is sourced from PubChem (CID 103749274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).