propyl 4-[(2-aminophenoxy)methyl]benzoate

C17H19NO3 — CID 39109159

IUPACpropyl 4-[(2-aminophenoxy)methyl]benzoate
SMILESCCCOC(=O)c1ccc(COc2ccccc2N)cc1
InChIInChI=1S/C17H19NO3/c1-2-11-20-17(19)14-9-7-13(8-10-14)12-21-16-6-4-3-5-15(16)18/h3-10H,2,11-12,18H2,1H3
InChIKeySRKSNPIOUZQMKN-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.41
Rot. Bonds6

About propyl 4-[(2-aminophenoxy)methyl]benzoate

propyl 4-[(2-aminophenoxy)methyl]benzoate (PubChem CID 39109159) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is propyl 4-[(2-aminophenoxy)methyl]benzoate.

Molecular Properties

Compound Namepropyl 4-[(2-aminophenoxy)methyl]benzoate
PubChem CID39109159
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namepropyl 4-[(2-aminophenoxy)methyl]benzoate
SMILESCCCOC(=O)c1ccc(COc2ccccc2N)cc1
InChIInChI=1S/C17H19NO3/c1-2-11-20-17(19)14-9-7-13(8-10-14)12-21-16-6-4-3-5-15(16)18/h3-10H,2,11-12,18H2,1H3
InChIKeySRKSNPIOUZQMKN-UHFFFAOYSA-N
XLogP3.41
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057351
ethyl 4-[(2-formylphenoxy)methyl]benzoate
CID 87464157
propyl 4-amino-3-[(2-methylphenyl)methoxy]benzoate
CID 82057509
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
benzene-1,2-diol;propyl 4-hydroxybenzoate
CID 70157897
ethyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 82312048
propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate
CID 82186309
propyl 4-hydroxybenzoate
CID 66683808
propyl 4-[(4-formylphenoxy)methyl]benzoate
CID 23411167
propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate
CID 4927289
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate
CID 4504442

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(2-aminophenoxy)methyl]benzoate?
The IUPAC name of propyl 4-[(2-aminophenoxy)methyl]benzoate (CID 39109159) is propyl 4-[(2-aminophenoxy)methyl]benzoate.
What is the SMILES notation for propyl 4-[(2-aminophenoxy)methyl]benzoate?
The canonical SMILES for propyl 4-[(2-aminophenoxy)methyl]benzoate is CCCOC(=O)c1ccc(COc2ccccc2N)cc1.
What is the InChIKey of propyl 4-[(2-aminophenoxy)methyl]benzoate?
The InChIKey is SRKSNPIOUZQMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-11-20-17(19)14-9-7-13(8-10-14)12-21-16-6-4-3-5-15(16)18/h3-10H,2,11-12,18H2,1H3.
What are the key properties of propyl 4-[(2-aminophenoxy)methyl]benzoate?
propyl 4-[(2-aminophenoxy)methyl]benzoate has a molecular weight of 285.34 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(2-aminophenoxy)methyl]benzoate is sourced from PubChem (CID 39109159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).