methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate

C15H14FNO3 — CID 102982938

IUPACmethyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate
SMILESCOC(=O)c1ccc(N)c(Oc2cc(F)ccc2C)c1
InChIInChI=1S/C15H14FNO3/c1-9-3-5-11(16)8-13(9)20-14-7-10(15(18)19-2)4-6-12(14)17/h3-8H,17H2,1-2H3
InChIKeyRIIWBIDHXNXUJV-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.30
Rot. Bonds3

About methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate

methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate (PubChem CID 102982938) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate
PubChem CID102982938
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Namemethyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate
SMILESCOC(=O)c1ccc(N)c(Oc2cc(F)ccc2C)c1
InChIInChI=1S/C15H14FNO3/c1-9-3-5-11(16)8-13(9)20-14-7-10(15(18)19-2)4-6-12(14)17/h3-8H,17H2,1-2H3
InChIKeyRIIWBIDHXNXUJV-UHFFFAOYSA-N
XLogP3.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.30
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

methyl 4-amino-3-[(5-fluoro-2-methylphenyl)methoxy]benzoate
CID 105372375
methyl 3-amino-4-(2,5-difluorophenoxy)benzoate
CID 63269620
methyl 4-amino-3-(4-methylphenoxy)benzoate
CID 79017162
methyl 4-amino-3-methoxybenzoate
CID 602411
4-(2-amino-5-fluorophenoxy)-3-methoxybenzamide
CID 62376981
methyl 4-amino-3-[(2-bromo-5-fluorophenyl)methoxy]benzoate
CID 43380143
methanamine;methyl 3-amino-4-methylbenzoate
CID 164531340
ethane;methyl 3-amino-4-methylbenzoate
CID 142981906
methyl 4-methyl-3-phenoxybenzoate
CID 15210812
methyl 4-amino-3-(difluoromethoxy)benzoate
CID 43380209
4-amino-3-(2-chloro-5-fluorophenoxy)benzoic acid
CID 114264294
4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980220

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate?
The IUPAC name of methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate (CID 102982938) is methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate.
What is the SMILES notation for methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate?
The canonical SMILES for methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate is COC(=O)c1ccc(N)c(Oc2cc(F)ccc2C)c1.
What is the InChIKey of methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate?
The InChIKey is RIIWBIDHXNXUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9-3-5-11(16)8-13(9)20-14-7-10(15(18)19-2)4-6-12(14)17/h3-8H,17H2,1-2H3.
What are the key properties of methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate?
methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate has a molecular weight of 275.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate is sourced from PubChem (CID 102982938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).