methyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate

C15H14ClNO3 — CID 13409482

IUPACmethyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccccc1Oc1c(N)cccc1Cl
InChIInChI=1S/C15H14ClNO3/c1-19-14(18)9-10-5-2-3-8-13(10)20-15-11(16)6-4-7-12(15)17/h2-8H,9,17H2,1H3
InChIKeyDVOJDOFWKGVFFH-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.43
Rot. Bonds4

About methyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate

methyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate (PubChem CID 13409482) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is methyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate
PubChem CID13409482
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Namemethyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate
SMILESCOC(=O)Cc1ccccc1Oc1c(N)cccc1Cl
InChIInChI=1S/C15H14ClNO3/c1-19-14(18)9-10-5-2-3-8-13(10)20-15-11(16)6-4-7-12(15)17/h2-8H,9,17H2,1H3
InChIKeyDVOJDOFWKGVFFH-UHFFFAOYSA-N
XLogP3.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate 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 4-(2-amino-6-chlorophenoxy)butanoate
CID 107715861
3-chloro-2-(2-iodophenoxy)aniline
CID 43479593
methyl 2-(4-aminonaphthalen-1-yl)acetate;hydrochloride
CID 44533305
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
2-(2-butan-2-ylphenoxy)-3-chloroaniline
CID 43101029
methyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate
CID 19771885
2-(2-amino-6-chlorophenoxy)-N-methylpropanamide
CID 107715753
2-amino-6-chloro-N-[(2-methoxyphenyl)methyl]benzamide
CID 63660526
methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate
CID 107341836
ethyl 3-amino-2-(2-ethylphenoxy)benzoate
CID 115935732
methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate
CID 117054245
2-[2-(2-aminophenoxy)phenyl]acetic acid
CID 13409453

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate?
The IUPAC name of methyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate (CID 13409482) is methyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate?
The canonical SMILES for methyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate is COC(=O)Cc1ccccc1Oc1c(N)cccc1Cl.
What is the InChIKey of methyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate?
The InChIKey is DVOJDOFWKGVFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-19-14(18)9-10-5-2-3-8-13(10)20-15-11(16)6-4-7-12(15)17/h2-8H,9,17H2,1H3.
What are the key properties of methyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate?
methyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate has a molecular weight of 291.73 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-amino-6-chlorophenoxy)phenyl]acetate is sourced from PubChem (CID 13409482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).