ethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate

C15H21ClN2O3 — CID 107198297

IUPACethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate
SMILESCCOC(=O)c1cc(N)cc(Cl)c1OCCN(C)C1CC1
InChIInChI=1S/C15H21ClN2O3/c1-3-20-15(19)12-8-10(17)9-13(16)14(12)21-7-6-18(2)11-4-5-11/h8-9,11H,3-7,17H2,1-2H3
InChIKeyYSYSTTIXYPOCIO-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.57
Rot. Bonds7

About ethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate

ethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate (PubChem CID 107198297) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is ethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate.

Molecular Properties

Compound Nameethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate
PubChem CID107198297
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Nameethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate
SMILESCCOC(=O)c1cc(N)cc(Cl)c1OCCN(C)C1CC1
InChIInChI=1S/C15H21ClN2O3/c1-3-20-15(19)12-8-10(17)9-13(16)14(12)21-7-6-18(2)11-4-5-11/h8-9,11H,3-7,17H2,1-2H3
InChIKeyYSYSTTIXYPOCIO-UHFFFAOYSA-N
XLogP2.57
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.57
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 3-amino-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate
CID 102740371
ethyl 5-amino-3-chloro-2-cycloheptyloxybenzoate
CID 107197699
ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate
CID 107193832
methyl 5-amino-3-chloro-2-(2-ethoxyethoxy)benzoate
CID 107197296
methyl 5-amino-3-chloro-2-(2-cyclobutylethoxy)benzoate
CID 106203449
methyl 5-amino-3-chloro-2-pentoxybenzoate
CID 107197652
ethyl 5-amino-3-chloro-2-(4-methylpentan-2-yloxy)benzoate
CID 107197294
ethyl 5-amino-3-chloro-2-[cyclobutylmethyl(methyl)amino]benzoate
CID 107195714
5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid
CID 106203432
ethyl 5-amino-3-chloro-2-[3-hydroxypropyl(methyl)amino]benzoate
CID 114230681
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 114047105
ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 61455680

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate?
The IUPAC name of ethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate (CID 107198297) is ethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate.
What is the SMILES notation for ethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate?
The canonical SMILES for ethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate is CCOC(=O)c1cc(N)cc(Cl)c1OCCN(C)C1CC1.
What is the InChIKey of ethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate?
The InChIKey is YSYSTTIXYPOCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-3-20-15(19)12-8-10(17)9-13(16)14(12)21-7-6-18(2)11-4-5-11/h8-9,11H,3-7,17H2,1-2H3.
What are the key properties of ethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate?
ethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate has a molecular weight of 312.80 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate is sourced from PubChem (CID 107198297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).