ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate

C15H23N3O3 — CID 79071225

IUPACethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate
SMILESCCOC(=O)c1cc(N)ccc1NCC1CN(C)CCO1
InChIInChI=1S/C15H23N3O3/c1-3-20-15(19)13-8-11(16)4-5-14(13)17-9-12-10-18(2)6-7-21-12/h4-5,8,12,17H,3,6-7,9-10,16H2,1-2H3
InChIKeyOWEYFCNVQVTSCP-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.19
Rot. Bonds5

About ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate

ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate (PubChem CID 79071225) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate
PubChem CID79071225
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate
SMILESCCOC(=O)c1cc(N)ccc1NCC1CN(C)CCO1
InChIInChI=1S/C15H23N3O3/c1-3-20-15(19)13-8-11(16)4-5-14(13)17-9-12-10-18(2)6-7-21-12/h4-5,8,12,17H,3,6-7,9-10,16H2,1-2H3
InChIKeyOWEYFCNVQVTSCP-UHFFFAOYSA-N
XLogP1.19
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-4-[(4-methylmorpholin-2-yl)methylamino]benzoate
CID 79072138
ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate
CID 106955980
ethyl 5-amino-2-(oxan-4-ylmethylamino)benzoate
CID 63705610
(4-methylmorpholin-2-yl)methyl 4-amino-2-methylbenzoate
CID 79182043
(4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate
CID 79182901
(4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate
CID 79182993
ethyl 5-amino-2-(ethylamino)benzoate
CID 61313445
ethyl 5-amino-2-(2-pyrrolidin-1-ylethylamino)benzoate
CID 62642562
ethyl 3-methyl-5-[(4-methylmorpholin-2-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 79363751
2-[(4-methylmorpholin-2-yl)methylamino]-5-nitrobenzoic acid
CID 79082131
4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 133443007
2-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172087

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate?
The IUPAC name of ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate (CID 79071225) is ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate.
What is the SMILES notation for ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate?
The canonical SMILES for ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate is CCOC(=O)c1cc(N)ccc1NCC1CN(C)CCO1.
What is the InChIKey of ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate?
The InChIKey is OWEYFCNVQVTSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-20-15(19)13-8-11(16)4-5-14(13)17-9-12-10-18(2)6-7-21-12/h4-5,8,12,17H,3,6-7,9-10,16H2,1-2H3.
What are the key properties of ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate?
ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate has a molecular weight of 293.37 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate is sourced from PubChem (CID 79071225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).