ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate

C13H20N2O3 — CID 61306548

IUPACethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate
SMILESCCOC(=O)c1cc(OCCN(C)C)ccc1N
InChIInChI=1S/C13H20N2O3/c1-4-17-13(16)11-9-10(5-6-12(11)14)18-8-7-15(2)3/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeyWOQGIXJSZACUMY-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.39
Rot. Bonds6

About ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate

ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate (PubChem CID 61306548) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate
PubChem CID61306548
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate
SMILESCCOC(=O)c1cc(OCCN(C)C)ccc1N
InChIInChI=1S/C13H20N2O3/c1-4-17-13(16)11-9-10(5-6-12(11)14)18-8-7-15(2)3/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeyWOQGIXJSZACUMY-UHFFFAOYSA-N
XLogP1.39
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate
CID 61307433
ethyl 2-amino-5-(3-methylbutoxy)benzoate
CID 61307572
ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate
CID 61307579
ethyl 2-amino-5-(4-methoxy-4-oxobutoxy)benzoate
CID 63997339
methyl 2-amino-5-[4-[2-(dimethylamino)ethoxy]phenyl]benzoate
CID 82572923
ethyl 7-bromo-3-[2-(dimethylamino)ethoxy]naphthalene-2-carboxylate
CID 18476177
ethyl 2-amino-5-(4-methylphenoxy)benzoate
CID 63423730
methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate
CID 115505666
ethyl 2-amino-5-(4-bromophenoxy)benzoate
CID 63423182
2-amino-5-propoxybenzoic acid
CID 12719187
2-amino-5-(2-ethoxyethoxy)benzamide
CID 61306678
2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide
CID 115505667

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate?
The IUPAC name of ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate (CID 61306548) is ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate.
What is the SMILES notation for ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate?
The canonical SMILES for ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate is CCOC(=O)c1cc(OCCN(C)C)ccc1N.
What is the InChIKey of ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate?
The InChIKey is WOQGIXJSZACUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-17-13(16)11-9-10(5-6-12(11)14)18-8-7-15(2)3/h5-6,9H,4,7-8,14H2,1-3H3.
What are the key properties of ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate?
ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate has a molecular weight of 252.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate is sourced from PubChem (CID 61306548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).