methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate

C15H21NO3 — CID 82968974

IUPACmethyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CN(C)C1CCOC1C
InChIInChI=1S/C15H21NO3/c1-11-14(8-9-19-11)16(2)10-12-6-4-5-7-13(12)15(17)18-3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyFUJXLBAULBTHDH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.08
Rot. Bonds4

About methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate

methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate (PubChem CID 82968974) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate
PubChem CID82968974
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CN(C)C1CCOC1C
InChIInChI=1S/C15H21NO3/c1-11-14(8-9-19-11)16(2)10-12-6-4-5-7-13(12)15(17)18-3/h4-7,11,14H,8-10H2,1-3H3
InChIKeyFUJXLBAULBTHDH-UHFFFAOYSA-N
XLogP2.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzoate
CID 102632732
methyl 2-[[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]methyl]benzoate
CID 124776937
N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]oxolan-3-amine
CID 82754523
methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate
CID 82969568
5-fluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoic acid
CID 82754922
1-(2-chlorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]ethanone
CID 82742948
methyl 2-[[methyl(thiolan-3-yl)amino]methyl]benzoate
CID 82969785
methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate
CID 82969495
methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate
CID 82969182
5-[[methyl-(2-methyloxolan-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 82739390
5-methyl-4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]furan-2-carboxylic acid
CID 82739295
2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide
CID 82737840

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate?
The IUPAC name of methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate (CID 82968974) is methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate?
The canonical SMILES for methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate is COC(=O)c1ccccc1CN(C)C1CCOC1C.
What is the InChIKey of methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate?
The InChIKey is FUJXLBAULBTHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-14(8-9-19-11)16(2)10-12-6-4-5-7-13(12)15(17)18-3/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate?
methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate has a molecular weight of 263.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate is sourced from PubChem (CID 82968974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).