methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate

C14H19NO2 — CID 82969568

IUPACmethyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CN(C)CC1CC1
InChIInChI=1S/C14H19NO2/c1-15(9-11-7-8-11)10-12-5-3-4-6-13(12)14(16)17-2/h3-6,11H,7-10H2,1-2H3
InChIKeyAHFKJHGGBSUIML-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.32
Rot. Bonds5

About methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate

methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate (PubChem CID 82969568) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate
PubChem CID82969568
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CN(C)CC1CC1
InChIInChI=1S/C14H19NO2/c1-15(9-11-7-8-11)10-12-5-3-4-6-13(12)14(16)17-2/h3-6,11H,7-10H2,1-2H3
InChIKeyAHFKJHGGBSUIML-UHFFFAOYSA-N
XLogP2.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzoate
CID 102632732
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide
CID 63574180
2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 115465383
methyl 2-[[methyl(thiolan-3-yl)amino]methyl]benzoate
CID 82969785
methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate
CID 82968974
methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate
CID 82969182
methyl 2-[[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]methyl]benzoate
CID 124776937
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
3-[[cyclopropylmethyl(methyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107115361
methyl 2-[(4-aminopiperidin-1-yl)methyl]benzoate;dihydrochloride
CID 53256226
methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate
CID 102848899
methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate
CID 82969793

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate?
The IUPAC name of methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate (CID 82969568) is methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate?
The canonical SMILES for methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate is COC(=O)c1ccccc1CN(C)CC1CC1.
What is the InChIKey of methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate?
The InChIKey is AHFKJHGGBSUIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15(9-11-7-8-11)10-12-5-3-4-6-13(12)14(16)17-2/h3-6,11H,7-10H2,1-2H3.
What are the key properties of methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate?
methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate has a molecular weight of 233.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate is sourced from PubChem (CID 82969568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).