2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate

C15H22N2O3 — CID 102706152

IUPAC2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCCN2CCOCC2)cc1N
InChIInChI=1S/C15H22N2O3/c1-11-9-12(2)14(16)10-13(11)15(18)20-8-5-17-3-6-19-7-4-17/h9-10H,3-8,16H2,1-2H3
InChIKeyHUPAUHRROAPPEN-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.37
Rot. Bonds4

About 2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate

2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate (PubChem CID 102706152) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate
PubChem CID102706152
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCCN2CCOCC2)cc1N
InChIInChI=1S/C15H22N2O3/c1-11-9-12(2)14(16)10-13(11)15(18)20-8-5-17-3-6-19-7-4-17/h9-10H,3-8,16H2,1-2H3
InChIKeyHUPAUHRROAPPEN-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
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

3-pyrrolidin-1-ylpropyl 5-amino-2,4-dimethylbenzoate
CID 102706208
2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate
CID 68605488
2-methoxyethyl 5-amino-2,4-dimethylbenzoate
CID 104538496
2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668
ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate
CID 11079114
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-morpholin-4-ylethyl 2-iodobenzoate
CID 989917
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate
CID 107913432
2-(4-methylpiperazin-1-yl)ethyl 3-amino-4-methylbenzoate
CID 82891746
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate?
The IUPAC name of 2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate (CID 102706152) is 2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate?
The canonical SMILES for 2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate is Cc1cc(C)c(C(=O)OCCN2CCOCC2)cc1N.
What is the InChIKey of 2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate?
The InChIKey is HUPAUHRROAPPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-9-12(2)14(16)10-13(11)15(18)20-8-5-17-3-6-19-7-4-17/h9-10H,3-8,16H2,1-2H3.
What are the key properties of 2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate?
2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate has a molecular weight of 278.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate is sourced from PubChem (CID 102706152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).