methyl 2-(4-aminophenyl)acetate

C9H11NO2 — CID 2761030

IUPACmethyl 2-(4-aminophenyl)acetate
SMILESCOC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C9H11NO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6,10H2,1H3
InChIKeyTVIVLENJTXGRAM-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.98
Rot. Bonds2

About methyl 2-(4-aminophenyl)acetate

methyl 2-(4-aminophenyl)acetate (PubChem CID 2761030) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is methyl 2-(4-aminophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-aminophenyl)acetate
PubChem CID2761030
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Namemethyl 2-(4-aminophenyl)acetate
SMILESCOC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C9H11NO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6,10H2,1H3
InChIKeyTVIVLENJTXGRAM-UHFFFAOYSA-N
XLogP0.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-aminophenyl)acetate?
The IUPAC name of methyl 2-(4-aminophenyl)acetate (CID 2761030) is methyl 2-(4-aminophenyl)acetate.
What is the SMILES notation for methyl 2-(4-aminophenyl)acetate?
The canonical SMILES for methyl 2-(4-aminophenyl)acetate is COC(=O)Cc1ccc(N)cc1.
What is the InChIKey of methyl 2-(4-aminophenyl)acetate?
The InChIKey is TVIVLENJTXGRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6,10H2,1H3.
What are the key properties of methyl 2-(4-aminophenyl)acetate?
methyl 2-(4-aminophenyl)acetate has a molecular weight of 165.19 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-aminophenyl)acetate is sourced from PubChem (CID 2761030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).