ethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate

C15H22N2O3 — CID 63327568

IUPACethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate
SMILESCCOC(=O)c1c(N)cccc1C(C)N1CCOCC1
InChIInChI=1S/C15H22N2O3/c1-3-20-15(18)14-12(5-4-6-13(14)16)11(2)17-7-9-19-10-8-17/h4-6,11H,3,7-10,16H2,1-2H3
InChIKeyXDAUQLXQRKWTFK-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.84
Rot. Bonds4

About ethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate

ethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate (PubChem CID 63327568) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate.

Molecular Properties

Compound Nameethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate
PubChem CID63327568
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate
SMILESCCOC(=O)c1c(N)cccc1C(C)N1CCOCC1
InChIInChI=1S/C15H22N2O3/c1-3-20-15(18)14-12(5-4-6-13(14)16)11(2)17-7-9-19-10-8-17/h4-6,11H,3,7-10,16H2,1-2H3
InChIKeyXDAUQLXQRKWTFK-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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

methyl 2-amino-6-(1-ethoxy-1-oxopropan-2-yl)benzoate
CID 23120368
ethyl 2,6-di(butan-2-yl)benzoate
CID 166060027
ethyl 2-amino-6-hydroxybenzoate
CID 70700315
3-amino-2-ethoxycarbonylbenzoic acid
CID 91873809
(2-amino-6-ethoxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 81420115
ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
CID 64528220
propyl 2-amino-6-(1-methylsulfanylethyl)benzoate
CID 63897839
ethyl 1,2,5-trimethyl-4-(3-morpholin-4-ylbutylsulfamoyl)pyrrole-3-carboxylate
CID 20938556
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
2-(1-morpholin-4-ylethyl)benzaldehyde
CID 105474307
ethyl 2-amino-6-cyanobenzoate
CID 91873808
ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate
CID 101092086

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate?
The IUPAC name of ethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate (CID 63327568) is ethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate.
What is the SMILES notation for ethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate?
The canonical SMILES for ethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate is CCOC(=O)c1c(N)cccc1C(C)N1CCOCC1.
What is the InChIKey of ethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate?
The InChIKey is XDAUQLXQRKWTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-15(18)14-12(5-4-6-13(14)16)11(2)17-7-9-19-10-8-17/h4-6,11H,3,7-10,16H2,1-2H3.
What are the key properties of ethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate?
ethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate has a molecular weight of 278.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-(1-morpholin-4-ylethyl)benzoate is sourced from PubChem (CID 63327568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).