(5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate

C16H16FNO3 — CID 105374614

IUPAC(5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(F)ccc2C)cc1N
InChIInChI=1S/C16H16FNO3/c1-10-3-5-13(17)7-12(10)9-21-16(19)11-4-6-15(20-2)14(18)8-11/h3-8H,9,18H2,1-2H3
InChIKeyYGWJHTACPAGXDC-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.08
Rot. Bonds4

About (5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate

(5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate (PubChem CID 105374614) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate
PubChem CID105374614
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name(5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2cc(F)ccc2C)cc1N
InChIInChI=1S/C16H16FNO3/c1-10-3-5-13(17)7-12(10)9-21-16(19)11-4-6-15(20-2)14(18)8-11/h3-8H,9,18H2,1-2H3
InChIKeyYGWJHTACPAGXDC-UHFFFAOYSA-N
XLogP3.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.08
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

(2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate
CID 62197080
(5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate
CID 105374664
methyl 4-amino-3-[(5-fluoro-2-methylphenyl)methoxy]benzoate
CID 105372375
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline
CID 103201230
(2-fluoro-3-methoxyphenyl)methyl 4-amino-3-methylbenzoate
CID 104794363
(4-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665526
3-fluoropropyl 3-amino-4-methoxybenzoate
CID 81113544
(2,5-dimethylphenyl)methyl 4-amino-3-fluorobenzoate
CID 62681353
(3-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665478
(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluoro-3-methylbenzoate
CID 103297925
(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate
CID 105374630
(5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 105374623

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate?
The IUPAC name of (5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate (CID 105374614) is (5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate.
What is the SMILES notation for (5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate?
The canonical SMILES for (5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate is COc1ccc(C(=O)OCc2cc(F)ccc2C)cc1N.
What is the InChIKey of (5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate?
The InChIKey is YGWJHTACPAGXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-10-3-5-13(17)7-12(10)9-21-16(19)11-4-6-15(20-2)14(18)8-11/h3-8H,9,18H2,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate?
(5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate has a molecular weight of 289.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate is sourced from PubChem (CID 105374614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).