2-methylpropyl 2-(4-aminophenyl)acetate

C12H17NO2 — CID 20504770

IUPAC2-methylpropyl 2-(4-aminophenyl)acetate
SMILESCC(C)COC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H17NO2/c1-9(2)8-15-12(14)7-10-3-5-11(13)6-4-10/h3-6,9H,7-8,13H2,1-2H3
InChIKeyGPJJFGQPMPVCPH-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.01
Rot. Bonds4

About 2-methylpropyl 2-(4-aminophenyl)acetate

2-methylpropyl 2-(4-aminophenyl)acetate (PubChem CID 20504770) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-methylpropyl 2-(4-aminophenyl)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(4-aminophenyl)acetate
PubChem CID20504770
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-methylpropyl 2-(4-aminophenyl)acetate
SMILESCC(C)COC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C12H17NO2/c1-9(2)8-15-12(14)7-10-3-5-11(13)6-4-10/h3-6,9H,7-8,13H2,1-2H3
InChIKeyGPJJFGQPMPVCPH-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.01
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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Related Compounds

butan-2-yl 2-(4-aminophenyl)acetate
CID 43830814
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
2-(4-aminophenyl)ethaneperoxoic acid
CID 19931513
[2-(4-aminophenyl)acetyl]oxymercury
CID 140524085
amino 2-(4-aminophenyl)acetate
CID 66872043
2-methylpropyl 4-aminobenzoate
CID 23616374
2-methylpropyl 2-[(4-aminophenyl)methylsulfanyl]propanoate
CID 82177835
prop-2-enyl 2-(4-aminophenyl)acetate
CID 91683020
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate
CID 104563048
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
chloromethyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 165349245
ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(4-aminophenyl)acetate?
The IUPAC name of 2-methylpropyl 2-(4-aminophenyl)acetate (CID 20504770) is 2-methylpropyl 2-(4-aminophenyl)acetate.
What is the SMILES notation for 2-methylpropyl 2-(4-aminophenyl)acetate?
The canonical SMILES for 2-methylpropyl 2-(4-aminophenyl)acetate is CC(C)COC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-methylpropyl 2-(4-aminophenyl)acetate?
The InChIKey is GPJJFGQPMPVCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)8-15-12(14)7-10-3-5-11(13)6-4-10/h3-6,9H,7-8,13H2,1-2H3.
What are the key properties of 2-methylpropyl 2-(4-aminophenyl)acetate?
2-methylpropyl 2-(4-aminophenyl)acetate has a molecular weight of 207.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(4-aminophenyl)acetate is sourced from PubChem (CID 20504770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).