2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate

C14H21NO3 — CID 106448277

IUPAC2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate
SMILESCC(C)COCCOC(=O)Cc1ccccc1N
InChIInChI=1S/C14H21NO3/c1-11(2)10-17-7-8-18-14(16)9-12-5-3-4-6-13(12)15/h3-6,11H,7-10,15H2,1-2H3
InChIKeyXCBDHNNXBBEWHG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.03
Rot. Bonds7

About 2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate

2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate (PubChem CID 106448277) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate
PubChem CID106448277
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate
SMILESCC(C)COCCOC(=O)Cc1ccccc1N
InChIInChI=1S/C14H21NO3/c1-11(2)10-17-7-8-18-14(16)9-12-5-3-4-6-13(12)15/h3-6,11H,7-10,15H2,1-2H3
InChIKeyXCBDHNNXBBEWHG-UHFFFAOYSA-N
XLogP2.03
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxy-3-methylbutyl) 2-(2-aminophenyl)acetate
CID 79356038
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
CID 61487898
2-(2-methylpropoxy)ethyl (2S)-2-amino-2-phenylacetate
CID 106448098
2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate
CID 78831089
2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate
CID 28689944
2-(2-methylpropoxy)ethyl 3-(3-aminophenoxy)propanoate
CID 106448500
2-(2-methylpropoxy)ethyl 2-[2-(methylamino)ethyl]benzoate
CID 106448096
2-methoxyethyl 2-(2-methylphenyl)acetate
CID 78830183
prop-2-enyl 2-(2-aminophenyl)acetate
CID 67741343
2-methylpropyl 3-[2-[3-(2-methylpropoxy)-3-oxopropyl]phenyl]propanoate
CID 146794559
2-(2-methylpropoxy)ethyl 2-(5-chlorosulfonylthiophen-2-yl)acetate
CID 106450858
[2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
CID 61321081

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate?
The IUPAC name of 2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate (CID 106448277) is 2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate is CC(C)COCCOC(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate?
The InChIKey is XCBDHNNXBBEWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(2)10-17-7-8-18-14(16)9-12-5-3-4-6-13(12)15/h3-6,11H,7-10,15H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate?
2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate has a molecular weight of 251.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl 2-(2-aminophenyl)acetate is sourced from PubChem (CID 106448277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).