ethyl 2-amino-5-(4-methylphenoxy)benzoate

C16H17NO3 — CID 63423730

IUPACethyl 2-amino-5-(4-methylphenoxy)benzoate
SMILESCCOC(=O)c1cc(Oc2ccc(C)cc2)ccc1N
InChIInChI=1S/C16H17NO3/c1-3-19-16(18)14-10-13(8-9-15(14)17)20-12-6-4-11(2)5-7-12/h4-10H,3,17H2,1-2H3
InChIKeyBCAFTEWTPJILAF-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.55
Rot. Bonds4

About ethyl 2-amino-5-(4-methylphenoxy)benzoate

ethyl 2-amino-5-(4-methylphenoxy)benzoate (PubChem CID 63423730) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-amino-5-(4-methylphenoxy)benzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-(4-methylphenoxy)benzoate
PubChem CID63423730
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl 2-amino-5-(4-methylphenoxy)benzoate
SMILESCCOC(=O)c1cc(Oc2ccc(C)cc2)ccc1N
InChIInChI=1S/C16H17NO3/c1-3-19-16(18)14-10-13(8-9-15(14)17)20-12-6-4-11(2)5-7-12/h4-10H,3,17H2,1-2H3
InChIKeyBCAFTEWTPJILAF-UHFFFAOYSA-N
XLogP3.55
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-5-(4-bromophenoxy)benzoate
CID 63423182
ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate
CID 63269663
ethyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802601
ethyl 5-(4-bromophenoxy)-2-fluorobenzoate
CID 164893643
ethyl 2-amino-5-(2-chloro-4-fluorophenoxy)benzoate
CID 63423263
ethyl 2-amino-5-(2-cyanophenoxy)benzoate
CID 61305610
ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate
CID 61306548
ethyl 2-amino-5-(3-methylbutoxy)benzoate
CID 61307572
ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate
CID 61307433
ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate
CID 61307579
ethyl 2-amino-5-cyclohexyloxybenzoate
CID 61312279
methyl 2-amino-5-(3,4-dimethylphenoxy)benzoate
CID 63423501

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(4-methylphenoxy)benzoate?
The IUPAC name of ethyl 2-amino-5-(4-methylphenoxy)benzoate (CID 63423730) is ethyl 2-amino-5-(4-methylphenoxy)benzoate.
What is the SMILES notation for ethyl 2-amino-5-(4-methylphenoxy)benzoate?
The canonical SMILES for ethyl 2-amino-5-(4-methylphenoxy)benzoate is CCOC(=O)c1cc(Oc2ccc(C)cc2)ccc1N.
What is the InChIKey of ethyl 2-amino-5-(4-methylphenoxy)benzoate?
The InChIKey is BCAFTEWTPJILAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-3-19-16(18)14-10-13(8-9-15(14)17)20-12-6-4-11(2)5-7-12/h4-10H,3,17H2,1-2H3.
What are the key properties of ethyl 2-amino-5-(4-methylphenoxy)benzoate?
ethyl 2-amino-5-(4-methylphenoxy)benzoate has a molecular weight of 271.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(4-methylphenoxy)benzoate is sourced from PubChem (CID 63423730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).