(5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate

C16H16FNO2 — CID 105374623

IUPAC(5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate
SMILESCc1ccc(F)cc1COC(=O)c1cccc(C)c1N
InChIInChI=1S/C16H16FNO2/c1-10-6-7-13(17)8-12(10)9-20-16(19)14-5-3-4-11(2)15(14)18/h3-8H,9,18H2,1-2H3
InChIKeyNDZQUBVZPQFKFD-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.38
Rot. Bonds3

About (5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate

(5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate (PubChem CID 105374623) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate
PubChem CID105374623
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate
SMILESCc1ccc(F)cc1COC(=O)c1cccc(C)c1N
InChIInChI=1S/C16H16FNO2/c1-10-6-7-13(17)8-12(10)9-20-16(19)14-5-3-4-11(2)15(14)18/h3-8H,9,18H2,1-2H3
InChIKeyNDZQUBVZPQFKFD-UHFFFAOYSA-N
XLogP3.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.38
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

(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate
CID 105374630
(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluoro-3-methylbenzoate
CID 103297925
(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-amino-3-methylbenzoate
CID 18169718
(2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115547754
(3-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 60730677
2-[(5-fluoro-2-methylphenyl)methoxy]-3-methylbenzoic acid
CID 105369808
ethyl 2-amino-3-(5-fluoro-2-methylphenoxy)benzoate
CID 102982941
(4-fluoro-2-methylphenyl)methyl 3-amino-2-methoxybenzoate
CID 114348602
pyrimidin-2-ylmethyl 2-amino-3-methylbenzoate
CID 62700152
(5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate
CID 105374614
(5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate
CID 105374664
quinolin-8-ylmethyl 2-amino-3-methylbenzoate
CID 24670923

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate?
The IUPAC name of (5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate (CID 105374623) is (5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate.
What is the SMILES notation for (5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate?
The canonical SMILES for (5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate is Cc1ccc(F)cc1COC(=O)c1cccc(C)c1N.
What is the InChIKey of (5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate?
The InChIKey is NDZQUBVZPQFKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-10-6-7-13(17)8-12(10)9-20-16(19)14-5-3-4-11(2)15(14)18/h3-8H,9,18H2,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate?
(5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate has a molecular weight of 273.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate is sourced from PubChem (CID 105374623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).