methyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate

C15H22FNO3 — CID 103749450

IUPACmethyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate
SMILESCCN(Cc1ccc(C(=O)OC)c(F)c1)C(C)COC
InChIInChI=1S/C15H22FNO3/c1-5-17(11(2)10-19-3)9-12-6-7-13(14(16)8-12)15(18)20-4/h6-8,11H,5,9-10H2,1-4H3
InChIKeyMOLXUXKPLZFEQZ-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.47
Rot. Bonds7

About methyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate

methyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate (PubChem CID 103749450) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is methyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate
PubChem CID103749450
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Namemethyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate
SMILESCCN(Cc1ccc(C(=O)OC)c(F)c1)C(C)COC
InChIInChI=1S/C15H22FNO3/c1-5-17(11(2)10-19-3)9-12-6-7-13(14(16)8-12)15(18)20-4/h6-8,11H,5,9-10H2,1-4H3
InChIKeyMOLXUXKPLZFEQZ-UHFFFAOYSA-N
XLogP2.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate with MolForge

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Related Compounds

methyl 4-[[ethyl(2-methylbutyl)amino]methyl]-2-fluorobenzoate
CID 103749530
methyl 4-[[2-cyanoethyl(propan-2-yl)amino]methyl]-2-fluorobenzoate
CID 103749483
methyl 4-[[butyl(ethyl)amino]methyl]-2-fluorobenzoate
CID 103749211
methyl 2-fluoro-4-[[3-hydroxybutyl(methyl)amino]methyl]benzoate
CID 113254568
methyl 2-fluoro-4-(2-methylpropoxymethyl)benzoate
CID 106698296
methyl 4-[[cyclopropylmethyl(ethyl)amino]methyl]-2-fluorobenzoate
CID 103749438
methyl 4-(butan-2-yloxymethyl)-2-fluorobenzoate
CID 106698392
methyl 2-fluoro-4-[[(2-hydroxy-3-methoxypropyl)amino]methyl]benzoate
CID 106700114
methyl 2-fluoro-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]benzoate
CID 103909616
methyl 4-[[2,2-dimethylpropyl(methyl)amino]methyl]-2-fluorobenzoate
CID 103749337
methyl 4-(2-carbamoyl-3-methylbutyl)-2-fluorobenzoate
CID 175124320
methyl 2-fluoro-4-[(2-methylpropylamino)methyl]benzoate
CID 106699480

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate?
The IUPAC name of methyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate (CID 103749450) is methyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate.
What is the SMILES notation for methyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate?
The canonical SMILES for methyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate is CCN(Cc1ccc(C(=O)OC)c(F)c1)C(C)COC.
What is the InChIKey of methyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate?
The InChIKey is MOLXUXKPLZFEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-5-17(11(2)10-19-3)9-12-6-7-13(14(16)8-12)15(18)20-4/h6-8,11H,5,9-10H2,1-4H3.
What are the key properties of methyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate?
methyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate has a molecular weight of 283.34 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-fluorobenzoate is sourced from PubChem (CID 103749450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).