(E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one

C18H19NO2 — CID 156783234

IUPAC(E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one
SMILESCOc1c(C)cc(/C=C/C(=O)c2ccc(N)cc2)cc1C
InChIInChI=1S/C18H19NO2/c1-12-10-14(11-13(2)18(12)21-3)4-9-17(20)15-5-7-16(19)8-6-15/h4-11H,19H2,1-3H3/b9-4+
InChIKeyUKAWSRZDFWKBOI-RUDMXATFSA-N
MW281.36 g/mol
LogP3.79
Rot. Bonds4

About (E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one

(E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one (PubChem CID 156783234) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one
PubChem CID156783234
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one
SMILESCOc1c(C)cc(/C=C/C(=O)c2ccc(N)cc2)cc1C
InChIInChI=1S/C18H19NO2/c1-12-10-14(11-13(2)18(12)21-3)4-9-17(20)15-5-7-16(19)8-6-15/h4-11H,19H2,1-3H3/b9-4+
InChIKeyUKAWSRZDFWKBOI-RUDMXATFSA-N
XLogP3.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one (CID 156783234) is (E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one is COc1c(C)cc(/C=C/C(=O)c2ccc(N)cc2)cc1C.
What is the InChIKey of (E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one?
The InChIKey is UKAWSRZDFWKBOI-RUDMXATFSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-10-14(11-13(2)18(12)21-3)4-9-17(20)15-5-7-16(19)8-6-15/h4-11H,19H2,1-3H3/b9-4+.
What are the key properties of (E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one?
(E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one has a molecular weight of 281.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one is sourced from PubChem (CID 156783234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).