(E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol

C10H10F3NO — CID 155467959

IUPAC(E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol
SMILESCc1c(N)cc(/C=C/O)cc1C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-6-8(10(11,12)13)4-7(2-3-15)5-9(6)14/h2-5,15H,14H2,1H3/b3-2+
InChIKeyXMOXEQZNAMPCRG-NSCUHMNNSA-N
MW217.19 g/mol
LogP3.12
Rot. Bonds1

About (E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol

(E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol (PubChem CID 155467959) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is (E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol.

Molecular Properties

Compound Name(E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol
PubChem CID155467959
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name(E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol
SMILESCc1c(N)cc(/C=C/O)cc1C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-6-8(10(11,12)13)4-7(2-3-15)5-9(6)14/h2-5,15H,14H2,1H3/b3-2+
InChIKeyXMOXEQZNAMPCRG-NSCUHMNNSA-N
XLogP3.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol 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)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol?
The IUPAC name of (E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol (CID 155467959) is (E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol.
What is the SMILES notation for (E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol?
The canonical SMILES for (E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol is Cc1c(N)cc(/C=C/O)cc1C(F)(F)F.
What is the InChIKey of (E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol?
The InChIKey is XMOXEQZNAMPCRG-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-6-8(10(11,12)13)4-7(2-3-15)5-9(6)14/h2-5,15H,14H2,1H3/b3-2+.
What are the key properties of (E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol?
(E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol has a molecular weight of 217.19 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[3-amino-4-methyl-5-(trifluoromethyl)phenyl]ethenol is sourced from PubChem (CID 155467959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).