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

C13H19ClN2O3 — CID 107194741

IUPACmethyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate
SMILESCCN(CCOC)c1c(Cl)cc(N)cc1C(=O)OC
InChIInChI=1S/C13H19ClN2O3/c1-4-16(5-6-18-2)12-10(13(17)19-3)7-9(15)8-11(12)14/h7-8H,4-6,15H2,1-3H3
InChIKeyODTKDVSRCKCLQH-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.18
Rot. Bonds6

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

methyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate (PubChem CID 107194741) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is methyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate
PubChem CID107194741
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Namemethyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate
SMILESCCN(CCOC)c1c(Cl)cc(N)cc1C(=O)OC
InChIInChI=1S/C13H19ClN2O3/c1-4-16(5-6-18-2)12-10(13(17)19-3)7-9(15)8-11(12)14/h7-8H,4-6,15H2,1-3H3
InChIKeyODTKDVSRCKCLQH-UHFFFAOYSA-N
XLogP2.18
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-amino-3-chloro-2-[ethyl(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-[2-cyanoethyl(2-methoxyethyl)amino]benzoate
CID 107195834
ethyl 5-amino-3-chloro-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzoate
CID 107196691
methyl 5-amino-3-chloro-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzoate
CID 107196250
5-amino-3-chloro-2-[2-ethoxyethyl(ethyl)amino]benzoic acid
CID 107195901
2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 106890000
5-amino-3-chloro-2-[ethyl(2-hydroxyethyl)amino]benzamide
CID 107194374
ethyl 5-amino-3-chloro-2-[ethyl(1-methoxypropan-2-yl)amino]benzoate
CID 107195377
methyl 5-amino-3-chloro-2-iodobenzoate
CID 68764894
methyl 5-amino-3-chloro-2-(N-methylanilino)benzoate
CID 107192500
methyl 5-amino-3-chloro-2-(4-methoxybutylamino)benzoate
CID 107195444
methyl 5-amino-3-chloro-2-(1-methoxypropan-2-yloxy)benzoate
CID 107197921
methyl 5-amino-3-chloro-2-pentoxybenzoate
CID 107197652

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate?
The IUPAC name of methyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate (CID 107194741) is methyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate.
What is the SMILES notation for methyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate?
The canonical SMILES for methyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate is CCN(CCOC)c1c(Cl)cc(N)cc1C(=O)OC.
What is the InChIKey of methyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate?
The InChIKey is ODTKDVSRCKCLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-4-16(5-6-18-2)12-10(13(17)19-3)7-9(15)8-11(12)14/h7-8H,4-6,15H2,1-3H3.
What are the key properties of methyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate?
methyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate has a molecular weight of 286.76 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-chloro-2-[ethyl(2-methoxyethyl)amino]benzoate is sourced from PubChem (CID 107194741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).