methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate

C14H20N2O3 — CID 61306954

IUPACmethyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate
SMILESCCC1CN(c2ccc(C(=O)OC)cc2N)CCO1
InChIInChI=1S/C14H20N2O3/c1-3-11-9-16(6-7-19-11)13-5-4-10(8-12(13)15)14(17)18-2/h4-5,8,11H,3,6-7,9,15H2,1-2H3
InChIKeyBNEKPTNWFCRXGT-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.67
Rot. Bonds3

About methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate

methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate (PubChem CID 61306954) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate
PubChem CID61306954
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate
SMILESCCC1CN(c2ccc(C(=O)OC)cc2N)CCO1
InChIInChI=1S/C14H20N2O3/c1-3-11-9-16(6-7-19-11)13-5-4-10(8-12(13)15)14(17)18-2/h4-5,8,11H,3,6-7,9,15H2,1-2H3
InChIKeyBNEKPTNWFCRXGT-UHFFFAOYSA-N
XLogP1.67
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate
CID 113332612
methyl 3-amino-4-(2-methyl-1,4-oxazepan-4-yl)benzoate
CID 62967652
3-amino-N-ethyl-4-[2-(hydroxymethyl)morpholin-4-yl]benzamide
CID 82999408
2-(2-ethylmorpholin-4-yl)aniline
CID 43562435
methyl 3-amino-4-(3,4-dimethoxypyrrolidin-1-yl)benzoate
CID 103537177
methyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate
CID 107194128
methyl 3-amino-4-[(3R)-4-benzyl-3-methylpiperazin-1-yl]benzoate
CID 66598906
methyl 3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]benzoate
CID 61311117
methyl 3-amino-4-(3-methoxy-4-methylpiperidin-1-yl)benzoate
CID 102964150
methyl 3-amino-4-[(4-ethylmorpholin-2-yl)methylamino]benzoate
CID 114401093
methyl 4-[2-(hydroxymethyl)morpholin-4-yl]benzoate
CID 117008733
3-amino-N-methyl-4-(2-methylmorpholin-4-yl)benzamide
CID 82989034

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate?
The IUPAC name of methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate (CID 61306954) is methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate.
What is the SMILES notation for methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate?
The canonical SMILES for methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate is CCC1CN(c2ccc(C(=O)OC)cc2N)CCO1.
What is the InChIKey of methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate?
The InChIKey is BNEKPTNWFCRXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-11-9-16(6-7-19-11)13-5-4-10(8-12(13)15)14(17)18-2/h4-5,8,11H,3,6-7,9,15H2,1-2H3.
What are the key properties of methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate?
methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate has a molecular weight of 264.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate is sourced from PubChem (CID 61306954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).