propan-2-yl 4-(2-aminophenyl)benzoate

C16H17NO2 — CID 2756356

IUPACpropan-2-yl 4-(2-aminophenyl)benzoate
SMILESCC(C)OC(=O)c1ccc(-c2ccccc2N)cc1
InChIInChI=1S/C16H17NO2/c1-11(2)19-16(18)13-9-7-12(8-10-13)14-5-3-4-6-15(14)17/h3-11H,17H2,1-2H3
InChIKeyLFUCSKOXRHCFSK-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.50
Rot. Bonds3

About propan-2-yl 4-(2-aminophenyl)benzoate

propan-2-yl 4-(2-aminophenyl)benzoate (PubChem CID 2756356) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is propan-2-yl 4-(2-aminophenyl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(2-aminophenyl)benzoate
PubChem CID2756356
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namepropan-2-yl 4-(2-aminophenyl)benzoate
SMILESCC(C)OC(=O)c1ccc(-c2ccccc2N)cc1
InChIInChI=1S/C16H17NO2/c1-11(2)19-16(18)13-9-7-12(8-10-13)14-5-3-4-6-15(14)17/h3-11H,17H2,1-2H3
InChIKeyLFUCSKOXRHCFSK-UHFFFAOYSA-N
XLogP3.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(2-aminophenyl)benzoate?
The IUPAC name of propan-2-yl 4-(2-aminophenyl)benzoate (CID 2756356) is propan-2-yl 4-(2-aminophenyl)benzoate.
What is the SMILES notation for propan-2-yl 4-(2-aminophenyl)benzoate?
The canonical SMILES for propan-2-yl 4-(2-aminophenyl)benzoate is CC(C)OC(=O)c1ccc(-c2ccccc2N)cc1.
What is the InChIKey of propan-2-yl 4-(2-aminophenyl)benzoate?
The InChIKey is LFUCSKOXRHCFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11(2)19-16(18)13-9-7-12(8-10-13)14-5-3-4-6-15(14)17/h3-11H,17H2,1-2H3.
What are the key properties of propan-2-yl 4-(2-aminophenyl)benzoate?
propan-2-yl 4-(2-aminophenyl)benzoate has a molecular weight of 255.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(2-aminophenyl)benzoate is sourced from PubChem (CID 2756356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).