(4-fluorophenyl)methyl 4-amino-3-methylbenzoate

C15H14FNO2 — CID 61322774

IUPAC(4-fluorophenyl)methyl 4-amino-3-methylbenzoate
SMILESCc1cc(C(=O)OCc2ccc(F)cc2)ccc1N
InChIInChI=1S/C15H14FNO2/c1-10-8-12(4-7-14(10)17)15(18)19-9-11-2-5-13(16)6-3-11/h2-8H,9,17H2,1H3
InChIKeyRAIPALWZCYSRIZ-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.07
Rot. Bonds3

About (4-fluorophenyl)methyl 4-amino-3-methylbenzoate

(4-fluorophenyl)methyl 4-amino-3-methylbenzoate (PubChem CID 61322774) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 4-amino-3-methylbenzoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 4-amino-3-methylbenzoate
PubChem CID61322774
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name(4-fluorophenyl)methyl 4-amino-3-methylbenzoate
SMILESCc1cc(C(=O)OCc2ccc(F)cc2)ccc1N
InChIInChI=1S/C15H14FNO2/c1-10-8-12(4-7-14(10)17)15(18)19-9-11-2-5-13(16)6-3-11/h2-8H,9,17H2,1H3
InChIKeyRAIPALWZCYSRIZ-UHFFFAOYSA-N
XLogP3.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665526
(4-fluorophenyl)methyl 4-amino-3-fluorobenzoate
CID 62682624
(3-chlorophenyl)methyl 4-amino-3-methylbenzoate
CID 61320679
(4-bromo-2-fluorophenyl)methyl 4-amino-3-methylbenzoate
CID 61320680
(2-fluoro-3-methoxyphenyl)methyl 4-amino-3-methylbenzoate
CID 104794363
(4-fluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 61321680
(3-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665478
(3-cyano-2-fluorophenyl)methyl 4-amino-3-methylbenzoate
CID 107119246
(5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate
CID 105374664
(4-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate
CID 7276691
dibenzyl 4-aminobenzene-1,3-dicarboxylate
CID 166736545
(4-phenylphenyl)methyl 3,4-dimethylbenzoate
CID 7794291

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 4-amino-3-methylbenzoate?
The IUPAC name of (4-fluorophenyl)methyl 4-amino-3-methylbenzoate (CID 61322774) is (4-fluorophenyl)methyl 4-amino-3-methylbenzoate.
What is the SMILES notation for (4-fluorophenyl)methyl 4-amino-3-methylbenzoate?
The canonical SMILES for (4-fluorophenyl)methyl 4-amino-3-methylbenzoate is Cc1cc(C(=O)OCc2ccc(F)cc2)ccc1N.
What is the InChIKey of (4-fluorophenyl)methyl 4-amino-3-methylbenzoate?
The InChIKey is RAIPALWZCYSRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-8-12(4-7-14(10)17)15(18)19-9-11-2-5-13(16)6-3-11/h2-8H,9,17H2,1H3.
What are the key properties of (4-fluorophenyl)methyl 4-amino-3-methylbenzoate?
(4-fluorophenyl)methyl 4-amino-3-methylbenzoate has a molecular weight of 259.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 4-amino-3-methylbenzoate is sourced from PubChem (CID 61322774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).