ethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate

C15H23ClN2O3 — CID 107195377

IUPACethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate
SMILESCCOC(=O)c1cc(N)cc(Cl)c1N(CC)C(C)COC
InChIInChI=1S/C15H23ClN2O3/c1-5-18(10(3)9-20-4)14-12(15(19)21-6-2)7-11(17)8-13(14)16/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyHILFKOHNUGRDCK-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.96
Rot. Bonds7

About ethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate

ethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate (PubChem CID 107195377) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is ethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate
PubChem CID107195377
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Nameethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate
SMILESCCOC(=O)c1cc(N)cc(Cl)c1N(CC)C(C)COC
InChIInChI=1S/C15H23ClN2O3/c1-5-18(10(3)9-20-4)14-12(15(19)21-6-2)7-11(17)8-13(14)16/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyHILFKOHNUGRDCK-UHFFFAOYSA-N
XLogP2.96
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.96
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 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate
CID 107196691
ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate
CID 107193832
ethyl 5-amino-3-chloro-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]benzoate
CID 107196709
ethyl 5-amino-3-chloro-2-[3-hydroxypropyl(methyl)amino]benzoate
CID 114230681
methyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate
CID 107194741
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
ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate
CID 114047070
methyl 5-amino-3-chloro-2-(1-methoxypropan-2-yloxy)benzoate
CID 107197921
ethyl 5-amino-3-chloro-2-(3,3-dimethylbutan-2-ylamino)benzoate
CID 107196678
ethyl 5-amino-3-chloro-2-nitrobenzoate
CID 171022222
methyl 5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzoate
CID 107196250

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate?
The IUPAC name of ethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate (CID 107195377) is ethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate.
What is the SMILES notation for ethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate?
The canonical SMILES for ethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate is CCOC(=O)c1cc(N)cc(Cl)c1N(CC)C(C)COC.
What is the InChIKey of ethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate?
The InChIKey is HILFKOHNUGRDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-5-18(10(3)9-20-4)14-12(15(19)21-6-2)7-11(17)8-13(14)16/h7-8,10H,5-6,9,17H2,1-4H3.
What are the key properties of ethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate?
ethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate has a molecular weight of 314.81 g/mol, XLogP of 2.96, 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-[ethyl(1-methoxypropan-2-yl)amino]benzoate is sourced from PubChem (CID 107195377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).