ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate

C14H21ClN2O4 — CID 107196691

IUPACethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate
SMILESCCOC(=O)c1cc(N)cc(Cl)c1N(CCO)CCOC
InChIInChI=1S/C14H21ClN2O4/c1-3-21-14(19)11-8-10(16)9-12(15)13(11)17(4-6-18)5-7-20-2/h8-9,18H,3-7,16H2,1-2H3
InChIKeyZZPLUODOLBWCIP-UHFFFAOYSA-N
MW316.79 g/mol
LogP1.54
Rot. Bonds8

About ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate

ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate (PubChem CID 107196691) has the molecular formula C14H21ClN2O4 and a molecular weight of 316.79 g/mol. Its IUPAC name is ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate
PubChem CID107196691
Molecular FormulaC14H21ClN2O4
Molecular Weight316.79 g/mol
Exact Mass316.12
IUPAC Nameethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate
SMILESCCOC(=O)c1cc(N)cc(Cl)c1N(CCO)CCOC
InChIInChI=1S/C14H21ClN2O4/c1-3-21-14(19)11-8-10(16)9-12(15)13(11)17(4-6-18)5-7-20-2/h8-9,18H,3-7,16H2,1-2H3
InChIKeyZZPLUODOLBWCIP-UHFFFAOYSA-N
XLogP1.54
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]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 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate
CID 107194741
methyl 5-amino-3-chloro-2-[2-cyanoethyl(2-methoxyethyl)amino]benzoate
CID 107195834
ethyl 5-amino-3-chloro-2-[3-hydroxypropyl(methyl)amino]benzoate
CID 114230681
2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 106890000
ethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate
CID 107195377
5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide
CID 107194374
ethyl 5-amino-3-chloro-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]benzoate
CID 107196709
2-(4-amino-2,6-dichloro-N-propylanilino)ethanol
CID 106890073
5-amino-3-chloro-2-[2-ethoxyethyl(ethyl)amino]benzoic acid
CID 107195901
ethyl 5-amino-3-chloro-2-[cyclopentyl(methyl)amino]benzoate
CID 107193832
ethyl 5-amino-3-chloro-2-[cyclobutylmethyl(methyl)amino]benzoate
CID 107195714
ethyl 5-amino-2-[2-methoxyethyl(methyl)amino]benzoate
CID 61428258

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate?
The IUPAC name of ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate (CID 107196691) is ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate.
What is the SMILES notation for ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate?
The canonical SMILES for ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate is CCOC(=O)c1cc(N)cc(Cl)c1N(CCO)CCOC.
What is the InChIKey of ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate?
The InChIKey is ZZPLUODOLBWCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4/c1-3-21-14(19)11-8-10(16)9-12(15)13(11)17(4-6-18)5-7-20-2/h8-9,18H,3-7,16H2,1-2H3.
What are the key properties of ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate?
ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate has a molecular weight of 316.79 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate is sourced from PubChem (CID 107196691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).