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

C15H22N2O4 — CID 106955980

IUPACethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate
SMILESCCOC(=O)c1cc(N)ccc1OCC1CN(C)CCO1
InChIInChI=1S/C15H22N2O4/c1-3-19-15(18)13-8-11(16)4-5-14(13)21-10-12-9-17(2)6-7-20-12/h4-5,8,12H,3,6-7,9-10,16H2,1-2H3
InChIKeySEAYAWOUITVLEK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.15
Rot. Bonds5

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

ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate (PubChem CID 106955980) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate
PubChem CID106955980
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate
SMILESCCOC(=O)c1cc(N)ccc1OCC1CN(C)CCO1
InChIInChI=1S/C15H22N2O4/c1-3-19-15(18)13-8-11(16)4-5-14(13)21-10-12-9-17(2)6-7-20-12/h4-5,8,12H,3,6-7,9-10,16H2,1-2H3
InChIKeySEAYAWOUITVLEK-UHFFFAOYSA-N
XLogP1.15
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate
CID 79182993
(4-methylmorpholin-2-yl)methyl 4-amino-2-methylbenzoate
CID 79182043
(4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate
CID 79182901
ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate
CID 79071225
(4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate
CID 79182560
1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone
CID 79171911
2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
CID 79182676
4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940
2-methyl-6-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79165775
(4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate
CID 79182728
4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 107656463
N-[[5-methyl-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]ethanamine
CID 79171680

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate?
The IUPAC name of ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate (CID 106955980) is ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate.
What is the SMILES notation for ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate?
The canonical SMILES for ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate is CCOC(=O)c1cc(N)ccc1OCC1CN(C)CCO1.
What is the InChIKey of ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate?
The InChIKey is SEAYAWOUITVLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-19-15(18)13-8-11(16)4-5-14(13)21-10-12-9-17(2)6-7-20-12/h4-5,8,12H,3,6-7,9-10,16H2,1-2H3.
What are the key properties of ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate?
ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate has a molecular weight of 294.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 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)methoxy]benzoate is sourced from PubChem (CID 106955980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).