3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol

C15H15NO — CID 144918045

IUPAC3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol
SMILESCc1cc(O)cc(/C=C/c2ccc(N)cc2)c1
InChIInChI=1S/C15H15NO/c1-11-8-13(10-15(17)9-11)3-2-12-4-6-14(16)7-5-12/h2-10,17H,16H2,1H3/b3-2+
InChIKeyDJERLAGTMKJCKJ-NSCUHMNNSA-N
MW225.29 g/mol
LogP3.45
Rot. Bonds2

About 3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol

3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol (PubChem CID 144918045) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol.

Molecular Properties

Compound Name3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol
PubChem CID144918045
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol
SMILESCc1cc(O)cc(/C=C/c2ccc(N)cc2)c1
InChIInChI=1S/C15H15NO/c1-11-8-13(10-15(17)9-11)3-2-12-4-6-14(16)7-5-12/h2-10,17H,16H2,1H3/b3-2+
InChIKeyDJERLAGTMKJCKJ-NSCUHMNNSA-N
XLogP3.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515
5-[(Z)-2-(4-aminophenyl)ethenyl]benzene-1,3-diamine;5-[(Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 163701124
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
[4-[(E)-2-(3-hydroxy-5-methylphenyl)ethenyl]phenyl] acetate
CID 126551286
3-methyl-5-prop-1-enylphenol
CID 150421190
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
1-[(E)-2-[4-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenyl]phenyl]ethenyl]-3,5-dimethylbenzene
CID 158075827
4-[2-(3-methylphenyl)ethenyl]aniline
CID 59935146
4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol
CID 58288557
5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol
CID 71454329
1,3,5-tris[2-(3,5-dimethylphenyl)ethenyl]benzene
CID 71422497
benzene-1,3,5-triol;1,3,5-trimethylbenzene
CID 175059565

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol?
The IUPAC name of 3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol (CID 144918045) is 3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol.
What is the SMILES notation for 3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol?
The canonical SMILES for 3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol is Cc1cc(O)cc(/C=C/c2ccc(N)cc2)c1.
What is the InChIKey of 3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol?
The InChIKey is DJERLAGTMKJCKJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H15NO/c1-11-8-13(10-15(17)9-11)3-2-12-4-6-14(16)7-5-12/h2-10,17H,16H2,1H3/b3-2+.
What are the key properties of 3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol?
3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol has a molecular weight of 225.29 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-aminophenyl)ethenyl]-5-methylphenol is sourced from PubChem (CID 144918045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).