methyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate

C14H22N2O3 — CID 114943924

IUPACmethyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate
SMILESCCOC(C)(C)CNc1cc(C(=O)OC)ccc1N
InChIInChI=1S/C14H22N2O3/c1-5-19-14(2,3)9-16-12-8-10(13(17)18-4)6-7-11(12)15/h6-8,16H,5,9,15H2,1-4H3
InChIKeyYVIFJUWNUANXPC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.28
Rot. Bonds6

About methyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate

methyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate (PubChem CID 114943924) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate
PubChem CID114943924
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate
SMILESCCOC(C)(C)CNc1cc(C(=O)OC)ccc1N
InChIInChI=1S/C14H22N2O3/c1-5-19-14(2,3)9-16-12-8-10(13(17)18-4)6-7-11(12)15/h6-8,16H,5,9,15H2,1-4H3
InChIKeyYVIFJUWNUANXPC-UHFFFAOYSA-N
XLogP2.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]benzoate
CID 114167698
methyl 4-amino-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzoate
CID 82778099
4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide
CID 104758803
methyl 4-amino-3-(hexylamino)benzoate
CID 82796460
methyl 4-amino-3-(octylamino)benzoate
CID 82796381
methyl 4-amino-3-[3-(dimethylamino)propylamino]benzoate
CID 82785034
methyl 4-amino-3-[2-(diethylamino)ethylamino]benzoate
CID 82791044
methyl 4-amino-3-[[(2R)-2-methoxypropyl]amino]benzoate
CID 169160430
tert-butyl 4-amino-3-(2,2,2-trifluoroethylamino)benzoate
CID 176905565
methyl 4-amino-3-[(2-ethylpyrazol-3-yl)methylamino]benzoate
CID 174198225
methyl 4-amino-3-(2-methylbutan-2-yloxy)benzoate
CID 82796395
methyl 4-amino-3-(2-phenylethylamino)benzoate
CID 82786010

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate?
The IUPAC name of methyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate (CID 114943924) is methyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate.
What is the SMILES notation for methyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate?
The canonical SMILES for methyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate is CCOC(C)(C)CNc1cc(C(=O)OC)ccc1N.
What is the InChIKey of methyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate?
The InChIKey is YVIFJUWNUANXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-19-14(2,3)9-16-12-8-10(13(17)18-4)6-7-11(12)15/h6-8,16H,5,9,15H2,1-4H3.
What are the key properties of methyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate?
methyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate has a molecular weight of 266.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-[(2-ethoxy-2-methylpropyl)amino]benzoate is sourced from PubChem (CID 114943924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).