methyl 2-amino-5-(2-phenylethenyl)benzoate

C16H15NO2 — CID 70119663

IUPACmethyl 2-amino-5-(2-phenylethenyl)benzoate
SMILESCOC(=O)c1cc(C=Cc2ccccc2)ccc1N
InChIInChI=1S/C16H15NO2/c1-19-16(18)14-11-13(9-10-15(14)17)8-7-12-5-3-2-4-6-12/h2-11H,17H2,1H3
InChIKeySOWNBAYCTFJMJZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.23
Rot. Bonds3

About methyl 2-amino-5-(2-phenylethenyl)benzoate

methyl 2-amino-5-(2-phenylethenyl)benzoate (PubChem CID 70119663) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-amino-5-(2-phenylethenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(2-phenylethenyl)benzoate
PubChem CID70119663
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-amino-5-(2-phenylethenyl)benzoate
SMILESCOC(=O)c1cc(C=Cc2ccccc2)ccc1N
InChIInChI=1S/C16H15NO2/c1-19-16(18)14-11-13(9-10-15(14)17)8-7-12-5-3-2-4-6-12/h2-11H,17H2,1H3
InChIKeySOWNBAYCTFJMJZ-UHFFFAOYSA-N
XLogP3.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
CID 155479645
methyl 2-amino-5-(3-ethoxy-3-oxoprop-1-enyl)benzoate
CID 169480837
methyl 2-nitro-5-[(E)-2-phenylethenyl]benzoate
CID 5383028
2-amino-5-phenylbenzoic acid;methyl 2-amino-5-phenylbenzoate
CID 159000318
3-(3-amino-4-methoxycarbonylphenyl)prop-2-enoic acid
CID 169460854
methyl 2-amino-5-methoxybenzoate
CID 13052275
dimethyl 6-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylate
CID 11089322
4-[(E)-2-phenylethenyl]-2-[(E)-3-phenylprop-2-enimidoyl]aniline
CID 142077134
methyl 2-amino-5-(2-methoxyphenoxy)benzoate
CID 61306841
methyl 2-amino-5-bromobenzoate;hydrobromide
CID 162716594
CID 144556963
CID 144556963
dimethyl benzene-1,2-dicarboxylate;methyl (E)-3-phenylprop-2-enoate
CID 19966781

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(2-phenylethenyl)benzoate?
The IUPAC name of methyl 2-amino-5-(2-phenylethenyl)benzoate (CID 70119663) is methyl 2-amino-5-(2-phenylethenyl)benzoate.
What is the SMILES notation for methyl 2-amino-5-(2-phenylethenyl)benzoate?
The canonical SMILES for methyl 2-amino-5-(2-phenylethenyl)benzoate is COC(=O)c1cc(C=Cc2ccccc2)ccc1N.
What is the InChIKey of methyl 2-amino-5-(2-phenylethenyl)benzoate?
The InChIKey is SOWNBAYCTFJMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-16(18)14-11-13(9-10-15(14)17)8-7-12-5-3-2-4-6-12/h2-11H,17H2,1H3.
What are the key properties of methyl 2-amino-5-(2-phenylethenyl)benzoate?
methyl 2-amino-5-(2-phenylethenyl)benzoate has a molecular weight of 253.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(2-phenylethenyl)benzoate is sourced from PubChem (CID 70119663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).