methyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate

C14H19ClN2O3 — CID 107194128

IUPACmethyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate
SMILESCCC1CN(c2c(Cl)cc(N)cc2C(=O)OC)CCO1
InChIInChI=1S/C14H19ClN2O3/c1-3-10-8-17(4-5-20-10)13-11(14(18)19-2)6-9(16)7-12(13)15/h6-7,10H,3-5,8,16H2,1-2H3
InChIKeyYJIGCNKKLLIUTF-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.32
Rot. Bonds3

About methyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate

methyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate (PubChem CID 107194128) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is methyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate
PubChem CID107194128
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Namemethyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate
SMILESCCC1CN(c2c(Cl)cc(N)cc2C(=O)OC)CCO1
InChIInChI=1S/C14H19ClN2O3/c1-3-10-8-17(4-5-20-10)13-11(14(18)19-2)6-9(16)7-12(13)15/h6-7,10H,3-5,8,16H2,1-2H3
InChIKeyYJIGCNKKLLIUTF-UHFFFAOYSA-N
XLogP2.32
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.32
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-(2-ethylmorpholin-4-yl)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-acetamido-2-morpholin-4-ylbenzoate
CID 6463423
Methyl 5-[(2-chloro-6-fluorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 666232
Methyl 5-[(3,5-dichlorophenyl)carbamoylamino]-2-morpholin-4-ylbenzoate
CID 2741310
2-(2,6-Dichloro-4-morpholin-4-ylanilino)benzoic acid
CID 153457718
Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, 2-(diethylamino)ethyl ester, monohydrochloride
CID 3043428
5-[(3-Chlorobenzyl)amino]-2-(4-morpholinyl)benzoic acid
CID 1962878
(3-Chlorophenyl)methyl 2-morpholin-4-yl-5-nitrobenzoate
CID 18154648
Methyl 5-amino-2-(piperidin-1-yl)benzoate
CID 46933300
Methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
CID 2032115
Methyl 5-[(2-chlorobenzyl)amino]-2-(4-morpholinyl)benzoate
CID 4728016
Methyl 5-[(3-chlorobenzyl)amino]-2-(4-morpholinyl)benzoate
CID 4728017
Methyl 5-[(4-chlorophenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 162658095

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate?
The IUPAC name of methyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate (CID 107194128) is methyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate.
What is the SMILES notation for methyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate?
The canonical SMILES for methyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate is CCC1CN(c2c(Cl)cc(N)cc2C(=O)OC)CCO1.
What is the InChIKey of methyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate?
The InChIKey is YJIGCNKKLLIUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-3-10-8-17(4-5-20-10)13-11(14(18)19-2)6-9(16)7-12(13)15/h6-7,10H,3-5,8,16H2,1-2H3.
What are the key properties of methyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate?
methyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate has a molecular weight of 298.77 g/mol, XLogP of 2.32, 3 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-(2-ethylmorpholin-4-yl)benzoate is sourced from PubChem (CID 107194128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).