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

C15H14FNO2 — CID 60665478

IUPAC(3-fluorophenyl)methyl 3-amino-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2cccc(F)c2)cc1N
InChIInChI=1S/C15H14FNO2/c1-10-5-6-12(8-14(10)17)15(18)19-9-11-3-2-4-13(16)7-11/h2-8H,9,17H2,1H3
InChIKeyIQMPOGDZQAOKJM-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.07
Rot. Bonds3

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

(3-fluorophenyl)methyl 3-amino-4-methylbenzoate (PubChem CID 60665478) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 3-amino-4-methylbenzoate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 3-amino-4-methylbenzoate
PubChem CID60665478
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name(3-fluorophenyl)methyl 3-amino-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2cccc(F)c2)cc1N
InChIInChI=1S/C15H14FNO2/c1-10-5-6-12(8-14(10)17)15(18)19-9-11-3-2-4-13(16)7-11/h2-8H,9,17H2,1H3
InChIKeyIQMPOGDZQAOKJM-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
(3-methoxyphenyl)methyl 3-amino-4-methylbenzoate
CID 60730922
ethyl 3-amino-4-[(3-fluorophenyl)methoxy]benzoate
CID 82057348
(2-chloro-6-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665527
(2,6-dichlorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665539
(3-fluorophenyl)methyl 2-amino-4-fluorobenzoate
CID 52562632
4-O-[(3-fluorophenyl)methyl] 1-O-heptyl benzene-1,4-dicarboxylate
CID 91738345
(4-fluorophenyl)methyl 4-amino-3-methylbenzoate
CID 61322774
(3-chlorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 65124799
(4-cyanophenyl)methyl 3-amino-4-methylbenzoate
CID 60665494
(3-chlorophenyl)methyl 4-amino-3-methylbenzoate
CID 61320679
[3-[(3-amino-4-chlorobenzoyl)oxymethyl]phenyl]methyl 3-amino-4-chlorobenzoate
CID 16578140

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 3-amino-4-methylbenzoate?
The IUPAC name of (3-fluorophenyl)methyl 3-amino-4-methylbenzoate (CID 60665478) is (3-fluorophenyl)methyl 3-amino-4-methylbenzoate.
What is the SMILES notation for (3-fluorophenyl)methyl 3-amino-4-methylbenzoate?
The canonical SMILES for (3-fluorophenyl)methyl 3-amino-4-methylbenzoate is Cc1ccc(C(=O)OCc2cccc(F)c2)cc1N.
What is the InChIKey of (3-fluorophenyl)methyl 3-amino-4-methylbenzoate?
The InChIKey is IQMPOGDZQAOKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-5-6-12(8-14(10)17)15(18)19-9-11-3-2-4-13(16)7-11/h2-8H,9,17H2,1H3.
What are the key properties of (3-fluorophenyl)methyl 3-amino-4-methylbenzoate?
(3-fluorophenyl)methyl 3-amino-4-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 (3-fluorophenyl)methyl 3-amino-4-methylbenzoate is sourced from PubChem (CID 60665478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).