1-(dimethylamino)ethyl 2-(dimethylamino)benzoate

C13H20N2O2 — CID 175391310

IUPAC1-(dimethylamino)ethyl 2-(dimethylamino)benzoate
SMILESCC(OC(=O)c1ccccc1N(C)C)N(C)C
InChIInChI=1S/C13H20N2O2/c1-10(14(2)3)17-13(16)11-8-6-7-9-12(11)15(4)5/h6-10H,1-5H3
InChIKeyOEDJKOBMDQPBKJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.82
Rot. Bonds4

About 1-(dimethylamino)ethyl 2-(dimethylamino)benzoate

1-(dimethylamino)ethyl 2-(dimethylamino)benzoate (PubChem CID 175391310) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(dimethylamino)ethyl 2-(dimethylamino)benzoate.

Molecular Properties

Compound Name1-(dimethylamino)ethyl 2-(dimethylamino)benzoate
PubChem CID175391310
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(dimethylamino)ethyl 2-(dimethylamino)benzoate
SMILESCC(OC(=O)c1ccccc1N(C)C)N(C)C
InChIInChI=1S/C13H20N2O2/c1-10(14(2)3)17-13(16)11-8-6-7-9-12(11)15(4)5/h6-10H,1-5H3
InChIKeyOEDJKOBMDQPBKJ-UHFFFAOYSA-N
XLogP1.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)ethyl 2-fluorobenzoate
CID 175337343
1-(dimethylamino)ethyl 2-acetyloxybenzoate
CID 21481334
azane;ethyl 2-(dimethylamino)benzoate
CID 70426390
benzyl 2-(dimethylamino)benzoate
CID 58143131
benzhydryl 2-[hydroxy(methyl)amino]benzoate
CID 174834838
2-(dimethylamino)benzoic acid;ethene
CID 157119009
[2-(dimethylamino)phenyl]-(2-fluorophenyl)methanone
CID 71536300
2,2,2-trichloro-1-[2-(dimethylamino)phenyl]ethanone
CID 131615680
1-(dimethylamino)ethyl 2-phenylacetate
CID 88661320
1-[2-(dimethylamino)phenyl]-2-hydroxy-2-phenylethanone
CID 18330797
2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline
CID 87624044
methyl 2-[2-bromopropanoyl(methyl)amino]benzoate
CID 11392410

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethyl 2-(dimethylamino)benzoate?
The IUPAC name of 1-(dimethylamino)ethyl 2-(dimethylamino)benzoate (CID 175391310) is 1-(dimethylamino)ethyl 2-(dimethylamino)benzoate.
What is the SMILES notation for 1-(dimethylamino)ethyl 2-(dimethylamino)benzoate?
The canonical SMILES for 1-(dimethylamino)ethyl 2-(dimethylamino)benzoate is CC(OC(=O)c1ccccc1N(C)C)N(C)C.
What is the InChIKey of 1-(dimethylamino)ethyl 2-(dimethylamino)benzoate?
The InChIKey is OEDJKOBMDQPBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(14(2)3)17-13(16)11-8-6-7-9-12(11)15(4)5/h6-10H,1-5H3.
What are the key properties of 1-(dimethylamino)ethyl 2-(dimethylamino)benzoate?
1-(dimethylamino)ethyl 2-(dimethylamino)benzoate has a molecular weight of 236.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethyl 2-(dimethylamino)benzoate is sourced from PubChem (CID 175391310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).