propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate

C17H19NO3 — CID 43684030

IUPACpropan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate
SMILESCC(C)OC(=O)c1ccc(NCc2ccc(O)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-12(2)21-17(20)14-5-7-15(8-6-14)18-11-13-3-9-16(19)10-4-13/h3-10,12,18-19H,11H2,1-2H3
InChIKeyHTWLDUXRWCFEPJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.57
Rot. Bonds5

About propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate

propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate (PubChem CID 43684030) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate
PubChem CID43684030
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namepropan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate
SMILESCC(C)OC(=O)c1ccc(NCc2ccc(O)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-12(2)21-17(20)14-5-7-15(8-6-14)18-11-13-3-9-16(19)10-4-13/h3-10,12,18-19H,11H2,1-2H3
InChIKeyHTWLDUXRWCFEPJ-UHFFFAOYSA-N
XLogP3.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate
CID 79782251
zinc propan-2-yl 4-hydroxybenzoate
CID 54602710
bis(propan-2-yl 4-hydroxybenzoate);zinc
CID 122130630
propan-2-yl 4-[(tert-butylsulfinylamino)methyl]benzoate
CID 77434716
propan-2-yl 4-ethylbenzoate
CID 583760
propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate
CID 43231429
propan-2-yl 4-[(2-bromophenyl)methylamino]benzoate
CID 43231560
propan-2-yl 4-(butylamino)benzoate
CID 43228867
propan-2-yl 4-(hydroxymethyl)benzoate
CID 78907782
2-methylpropyl 4-hydroxybenzoate;propan-2-yl 4-hydroxybenzoate
CID 70155942
propan-2-yl 4-(2-methylpentylamino)benzoate
CID 43684020
propan-2-yl 2-(4-hydroxyanilino)acetate
CID 22630318

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate?
The IUPAC name of propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate (CID 43684030) is propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate?
The canonical SMILES for propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate is CC(C)OC(=O)c1ccc(NCc2ccc(O)cc2)cc1.
What is the InChIKey of propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate?
The InChIKey is HTWLDUXRWCFEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12(2)21-17(20)14-5-7-15(8-6-14)18-11-13-3-9-16(19)10-4-13/h3-10,12,18-19H,11H2,1-2H3.
What are the key properties of propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate?
propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate has a molecular weight of 285.34 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate is sourced from PubChem (CID 43684030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).