ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate

C15H22N2O3 — CID 115934170

IUPACethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate
SMILESCCOC(=O)c1cccc(N)c1N1CCOC(CC)C1
InChIInChI=1S/C15H22N2O3/c1-3-11-10-17(8-9-20-11)14-12(15(18)19-4-2)6-5-7-13(14)16/h5-7,11H,3-4,8-10,16H2,1-2H3
InChIKeyLVMRCMFJONPHIK-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.06
Rot. Bonds4

About ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate

ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate (PubChem CID 115934170) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate.

Molecular Properties

Compound Nameethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate
PubChem CID115934170
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate
SMILESCCOC(=O)c1cccc(N)c1N1CCOC(CC)C1
InChIInChI=1S/C15H22N2O3/c1-3-11-10-17(8-9-20-11)14-12(15(18)19-4-2)6-5-7-13(14)16/h5-7,11H,3-4,8-10,16H2,1-2H3
InChIKeyLVMRCMFJONPHIK-UHFFFAOYSA-N
XLogP2.06
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.06
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 3-amino-2-(4-ethylpiperidin-1-yl)benzoate
CID 115934299
methyl 3-amino-2-(2-methylmorpholin-4-yl)benzoate
CID 112577662
methyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate
CID 113332612
ethyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate
CID 115933779
2-(2-ethylmorpholin-4-yl)aniline
CID 43562435
ethyl 3-amino-2-(3,3-diethylpyrrolidin-1-yl)benzoate
CID 115935311
ethyl 3-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzoate
CID 103357703
methyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate
CID 107194128
methyl 3-amino-2-morpholin-4-ylbenzoate
CID 112577589
ethyl 3-methyl-2-pyrrolidin-1-ylbenzoate
CID 168513962
methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate
CID 61306954
ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate
CID 133368783

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate?
The IUPAC name of ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate (CID 115934170) is ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate.
What is the SMILES notation for ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate?
The canonical SMILES for ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate is CCOC(=O)c1cccc(N)c1N1CCOC(CC)C1.
What is the InChIKey of ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate?
The InChIKey is LVMRCMFJONPHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-11-10-17(8-9-20-11)14-12(15(18)19-4-2)6-5-7-13(14)16/h5-7,11H,3-4,8-10,16H2,1-2H3.
What are the key properties of ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate?
ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate has a molecular weight of 278.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate is sourced from PubChem (CID 115934170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).