methyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate

C15H20FNO3 — CID 95333409

IUPACmethyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate
SMILESCOC(=O)c1cc(F)ccc1CN(C)C[C@H]1CCCO1
InChIInChI=1S/C15H20FNO3/c1-17(10-13-4-3-7-20-13)9-11-5-6-12(16)8-14(11)15(18)19-2/h5-6,8,13H,3-4,7,9-10H2,1-2H3/t13-/m1/s1
InChIKeyARIYLFNGWUCXON-CYBMUJFWSA-N
MW281.33 g/mol
LogP2.22
Rot. Bonds5

About methyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate

methyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate (PubChem CID 95333409) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate
PubChem CID95333409
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Namemethyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate
SMILESCOC(=O)c1cc(F)ccc1CN(C)C[C@H]1CCCO1
InChIInChI=1S/C15H20FNO3/c1-17(10-13-4-3-7-20-13)9-11-5-6-12(16)8-14(11)15(18)19-2/h5-6,8,13H,3-4,7,9-10H2,1-2H3/t13-/m1/s1
InChIKeyARIYLFNGWUCXON-CYBMUJFWSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate with MolForge

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Related Compounds

1-[5-fluoro-2-hydroxy-3-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]ethanone
CID 61431961
1-(2,4-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanone
CID 61432500
2-fluoro-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzoic acid
CID 107880722
methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate
CID 82969495
methyl 2-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]methyl]-5-fluorobenzoate
CID 96999438
5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55969027
2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430574
2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 106699147
2-fluoro-3-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 107119393
2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 107693985
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 82978354

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate?
The IUPAC name of methyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate (CID 95333409) is methyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate?
The canonical SMILES for methyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate is COC(=O)c1cc(F)ccc1CN(C)C[C@H]1CCCO1.
What is the InChIKey of methyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate?
The InChIKey is ARIYLFNGWUCXON-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-17(10-13-4-3-7-20-13)9-11-5-6-12(16)8-14(11)15(18)19-2/h5-6,8,13H,3-4,7,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of methyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate?
methyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate has a molecular weight of 281.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-[[methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]benzoate is sourced from PubChem (CID 95333409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).