methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate

C14H21NO3 — CID 82969097

IUPACmethyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate
SMILESCCCN(CCO)Cc1ccccc1C(=O)OC
InChIInChI=1S/C14H21NO3/c1-3-8-15(9-10-16)11-12-6-4-5-7-13(12)14(17)18-2/h4-7,16H,3,8-11H2,1-2H3
InChIKeyOBYADNVDESEXPJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.68
Rot. Bonds7

About methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate

methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate (PubChem CID 82969097) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate
PubChem CID82969097
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate
SMILESCCCN(CCO)Cc1ccccc1C(=O)OC
InChIInChI=1S/C14H21NO3/c1-3-8-15(9-10-16)11-12-6-4-5-7-13(12)14(17)18-2/h4-7,16H,3,8-11H2,1-2H3
InChIKeyOBYADNVDESEXPJ-UHFFFAOYSA-N
XLogP1.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate
CID 82969793
methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate
CID 82969182
methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate
CID 82968950
methane;methyl 2-propylbenzoate
CID 167647144
ethane;methyl 2-(bromomethyl)benzoate
CID 90986523
ethane;methyl 2-(bromomethyl)benzoate
CID 90979154
CID 6380648
CID 6380648
methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate
CID 102848899
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
CID 107113213
3-[2-[[2-hydroxyethyl(propyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 54970074
2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 61446175
methyl 3-[(2-aminophenyl)methyl-propylamino]propanoate
CID 63949117

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate?
The IUPAC name of methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate (CID 82969097) is methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate?
The canonical SMILES for methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate is CCCN(CCO)Cc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate?
The InChIKey is OBYADNVDESEXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-8-15(9-10-16)11-12-6-4-5-7-13(12)14(17)18-2/h4-7,16H,3,8-11H2,1-2H3.
What are the key properties of methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate?
methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate has a molecular weight of 251.33 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate is sourced from PubChem (CID 82969097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).