benzyl 2-(dimethylamino)benzoate

C16H17NO2 — CID 58143131

IUPACbenzyl 2-(dimethylamino)benzoate
SMILESCN(C)c1ccccc1C(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO2/c1-17(2)15-11-7-6-10-14(15)16(18)19-12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3
InChIKeyHCXAJNGBHWPCKY-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.11
Rot. Bonds4

About benzyl 2-(dimethylamino)benzoate

benzyl 2-(dimethylamino)benzoate (PubChem CID 58143131) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is benzyl 2-(dimethylamino)benzoate.

Molecular Properties

Compound Namebenzyl 2-(dimethylamino)benzoate
PubChem CID58143131
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namebenzyl 2-(dimethylamino)benzoate
SMILESCN(C)c1ccccc1C(=O)OCc1ccccc1
InChIInChI=1S/C16H17NO2/c1-17(2)15-11-7-6-10-14(15)16(18)19-12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3
InChIKeyHCXAJNGBHWPCKY-UHFFFAOYSA-N
XLogP3.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 5-amino-2-(dimethylamino)benzoate
CID 61310016
azane;ethyl 2-(dimethylamino)benzoate
CID 70426390
benzyl 2,3-difluorobenzoate
CID 62867579
benzyl 2-fluoro-3-hydroxybenzoate
CID 561298
copper(1+);2-phenylmethoxycarbonylbenzoate
CID 158888431
benzyl 5-(dimethylamino)-2-[4-(dimethylamino)-2-phenylmethoxycarbonyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzoate
CID 134420146
benzyl 2-(difluoromethoxy)benzoate
CID 55327292
bis(4-methylpentan-2-yl) benzene-1,2-dicarboxylate;dibenzyl benzene-1,2-dicarboxylate
CID 175392349
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl benzoate
CID 2345
benzyl 2-(3-hydroxypropanoyl)benzoate
CID 164827518
1-O-benzyl 2-O-phosphono benzene-1,2-dicarboxylate
CID 57186966

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(dimethylamino)benzoate?
The IUPAC name of benzyl 2-(dimethylamino)benzoate (CID 58143131) is benzyl 2-(dimethylamino)benzoate.
What is the SMILES notation for benzyl 2-(dimethylamino)benzoate?
The canonical SMILES for benzyl 2-(dimethylamino)benzoate is CN(C)c1ccccc1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(dimethylamino)benzoate?
The InChIKey is HCXAJNGBHWPCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17(2)15-11-7-6-10-14(15)16(18)19-12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3.
What are the key properties of benzyl 2-(dimethylamino)benzoate?
benzyl 2-(dimethylamino)benzoate has a molecular weight of 255.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(dimethylamino)benzoate is sourced from PubChem (CID 58143131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).