ethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate

C15H22N2O3 — CID 61312863

IUPACethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate
SMILESCCOC(=O)c1cc(N2CC(C)OC(C)C2)ccc1N
InChIInChI=1S/C15H22N2O3/c1-4-19-15(18)13-7-12(5-6-14(13)16)17-8-10(2)20-11(3)9-17/h5-7,10-11H,4,8-9,16H2,1-3H3
InChIKeyDSJLJKHBFVQKOY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.06
Rot. Bonds3

About ethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate

ethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate (PubChem CID 61312863) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate
PubChem CID61312863
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate
SMILESCCOC(=O)c1cc(N2CC(C)OC(C)C2)ccc1N
InChIInChI=1S/C15H22N2O3/c1-4-19-15(18)13-7-12(5-6-14(13)16)17-8-10(2)20-11(3)9-17/h5-7,10-11H,4,8-9,16H2,1-3H3
InChIKeyDSJLJKHBFVQKOY-UHFFFAOYSA-N
XLogP2.06
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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 2-amino-5-(4,4-dimethylpiperidin-1-yl)benzoate
CID 62932234
ethyl 2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]benzoate
CID 104968336
ethyl 2-amino-5-(4,4-dimethylazepan-1-yl)benzoate
CID 65286422
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylaniline
CID 94894664
1-[2-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone
CID 114068730
methyl 2-amino-5-(3-methylpyrrolidin-1-yl)benzoate
CID 55137340
ethyl 2-amino-5-(3,4,5-trimethylpyrazol-1-yl)benzoate
CID 61311326
2-amino-5-(3,4,5-trimethylpiperazin-1-yl)benzoic acid
CID 114539657
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 7990358
1-(3-ethoxycarbonyl-4-nitrophenyl)azetidine-3-carboxylic acid
CID 122064608
ethyl 2-amino-5-(4-bromopyrazol-1-yl)benzoate
CID 61312078
ethyl 2-amino-5-(4-methyl-5-oxo-1,2,4-triazol-1-yl)benzoate
CID 83143326

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate?
The IUPAC name of ethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate (CID 61312863) is ethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate.
What is the SMILES notation for ethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate?
The canonical SMILES for ethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate is CCOC(=O)c1cc(N2CC(C)OC(C)C2)ccc1N.
What is the InChIKey of ethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate?
The InChIKey is DSJLJKHBFVQKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-19-15(18)13-7-12(5-6-14(13)16)17-8-10(2)20-11(3)9-17/h5-7,10-11H,4,8-9,16H2,1-3H3.
What are the key properties of ethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate?
ethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate has a molecular weight of 278.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate is sourced from PubChem (CID 61312863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).