ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate

C17H19NO3 — CID 82057337

IUPACethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2ccc(C)cc2)c(N)c1
InChIInChI=1S/C17H19NO3/c1-3-20-17(19)14-8-9-16(15(18)10-14)21-11-13-6-4-12(2)5-7-13/h4-10H,3,11,18H2,1-2H3
InChIKeyZOKRHMPFVKGKRH-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.33
Rot. Bonds5

About ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate

ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate (PubChem CID 82057337) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
PubChem CID82057337
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Nameethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2ccc(C)cc2)c(N)c1
InChIInChI=1S/C17H19NO3/c1-3-20-17(19)14-8-9-16(15(18)10-14)21-11-13-6-4-12(2)5-7-13/h4-10H,3,11,18H2,1-2H3
InChIKeyZOKRHMPFVKGKRH-UHFFFAOYSA-N
XLogP3.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.33
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
3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide
CID 82070214
ethyl 3-amino-4-[(3-fluorophenyl)methoxy]benzoate
CID 82057348
propyl 3-ethoxy-4-[(4-methylphenyl)methoxy]benzoate
CID 82186309
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
methyl 3-amino-4-[(3,5-dimethylphenyl)methoxy]benzoate
CID 61029764
ethyl 3-amino-4-(furan-2-ylmethoxy)benzoate
CID 61312680
ethyl 3-amino-4-(2-ethoxyethoxy)benzoate
CID 61306324
ethyl 3-amino-4-prop-2-enoxybenzoate
CID 82057340
ethyl 3-amino-4-(2,2-difluoroethoxy)benzoate
CID 82006549
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
CID 91681694
ethyl 3-amino-4-(3,5-dimethylphenoxy)benzoate
CID 63423547

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate?
The IUPAC name of ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate (CID 82057337) is ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate.
What is the SMILES notation for ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate?
The canonical SMILES for ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate is CCOC(=O)c1ccc(OCc2ccc(C)cc2)c(N)c1.
What is the InChIKey of ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate?
The InChIKey is ZOKRHMPFVKGKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-20-17(19)14-8-9-16(15(18)10-14)21-11-13-6-4-12(2)5-7-13/h4-10H,3,11,18H2,1-2H3.
What are the key properties of ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate?
ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate has a molecular weight of 285.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate is sourced from PubChem (CID 82057337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).