2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate

C15H23NO3 — CID 80555976

IUPAC2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate
SMILESCCCOCCOC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C15H23NO3/c1-4-9-18-10-11-19-14(17)15(2,3)12-5-7-13(16)8-6-12/h5-8H,4,9-11,16H2,1-3H3
InChIKeyKBTKQURVCNSCLV-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.52
Rot. Bonds7

About 2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate

2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate (PubChem CID 80555976) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate.

Molecular Properties

Compound Name2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate
PubChem CID80555976
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate
SMILESCCCOCCOC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C15H23NO3/c1-4-9-18-10-11-19-14(17)15(2,3)12-5-7-13(16)8-6-12/h5-8H,4,9-11,16H2,1-3H3
InChIKeyKBTKQURVCNSCLV-UHFFFAOYSA-N
XLogP2.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.52
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-methoxy-3-methylbutyl) 2-(4-aminophenyl)-2-methylpropanoate
CID 106665941
2-propoxyethyl 3-(4-aminophenyl)propanoate
CID 63687090
ethane;ethyl 2-(4-bromophenyl)-2-methylpropanoate
CID 144556613
octan-2-yl 2-(4-aminophenyl)-2-methylpropanoate
CID 80549079
2-(4-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]-2-methylpropanamide
CID 80555633
2-propoxyethyl 2-(ethylamino)-2-methylpropanoate
CID 63687075
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669
ethyl 2-[4-[3-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phenyl]propyl]phenyl]-2-methylpropanoate
CID 70583800
2-(4-aminophenyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylpropanamide
CID 80556703
ethyl 2-(4-iodophenyl)-2-methylpropanoate
CID 18801050
propyl 2,2-bis(4-hydroxyphenyl)propanoate
CID 139611231
2-propoxyethyl 5-amino-2-chlorobenzoate
CID 63686521

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate?
The IUPAC name of 2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate (CID 80555976) is 2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate.
What is the SMILES notation for 2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate?
The canonical SMILES for 2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate is CCCOCCOC(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate?
The InChIKey is KBTKQURVCNSCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-9-18-10-11-19-14(17)15(2,3)12-5-7-13(16)8-6-12/h5-8H,4,9-11,16H2,1-3H3.
What are the key properties of 2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate?
2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate has a molecular weight of 265.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 2-(4-aminophenyl)-2-methylpropanoate is sourced from PubChem (CID 80555976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).