(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate

C16H16FNO2 — CID 114348583

IUPAC(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate
SMILESCc1cc(F)ccc1COC(=O)Cc1cccc(N)c1
InChIInChI=1S/C16H16FNO2/c1-11-7-14(17)6-5-13(11)10-20-16(19)9-12-3-2-4-15(18)8-12/h2-8H,9-10,18H2,1H3
InChIKeyJBLKJJAITNLAFQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.00
Rot. Bonds4

About (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate

(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate (PubChem CID 114348583) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate
PubChem CID114348583
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate
SMILESCc1cc(F)ccc1COC(=O)Cc1cccc(N)c1
InChIInChI=1S/C16H16FNO2/c1-11-7-14(17)6-5-13(11)10-20-16(19)9-12-3-2-4-15(18)8-12/h2-8H,9-10,18H2,1H3
InChIKeyJBLKJJAITNLAFQ-UHFFFAOYSA-N
XLogP3.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.00
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-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592457
(4-cyano-2-fluorophenyl)methyl 2-(3-aminophenyl)acetate
CID 62498393
2,2-difluoroethyl 2-(3-aminophenyl)acetate
CID 62500335
(2-amino-2-oxoethyl) 2-(3-aminophenyl)acetate
CID 62499377
(4-fluoro-2-methylphenyl)methyl 2-amino-6-chlorobenzoate
CID 114348586
phenylmethoxymethyl 2-(3-aminophenyl)acetate
CID 102940348
(5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate
CID 55319464
(4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate
CID 80701666
4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one
CID 105376676
(4-fluoro-2-methylphenyl)methyl 3-amino-2-methoxybenzoate
CID 114348602
[2-(dimethylamino)-2-oxoethyl] 2-(3-aminophenyl)acetate
CID 62499868
(3-cyanophenyl)methyl 2-(3-aminophenyl)acetate
CID 62499042

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate?
The IUPAC name of (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate (CID 114348583) is (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate.
What is the SMILES notation for (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate?
The canonical SMILES for (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate is Cc1cc(F)ccc1COC(=O)Cc1cccc(N)c1.
What is the InChIKey of (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate?
The InChIKey is JBLKJJAITNLAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-7-14(17)6-5-13(11)10-20-16(19)9-12-3-2-4-15(18)8-12/h2-8H,9-10,18H2,1H3.
What are the key properties of (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate?
(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate has a molecular weight of 273.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate is sourced from PubChem (CID 114348583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).