4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol

C11H12F3NO2 — CID 117369569

IUPAC4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol
SMILESCOc1cc(/C=C/CN)cc(C(F)(F)F)c1O
InChIInChI=1S/C11H12F3NO2/c1-17-9-6-7(3-2-4-15)5-8(10(9)16)11(12,13)14/h2-3,5-6,16H,4,15H2,1H3/b3-2+
InChIKeyUMUYYEKFFXYGOF-NSCUHMNNSA-N
MW247.22 g/mol
LogP2.39
Rot. Bonds3

About 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol

4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol (PubChem CID 117369569) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol
PubChem CID117369569
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol
SMILESCOc1cc(/C=C/CN)cc(C(F)(F)F)c1O
InChIInChI=1S/C11H12F3NO2/c1-17-9-6-7(3-2-4-15)5-8(10(9)16)11(12,13)14/h2-3,5-6,16H,4,15H2,1H3/b3-2+
InChIKeyUMUYYEKFFXYGOF-NSCUHMNNSA-N
XLogP2.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-methylphenol
CID 117283631
(E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 117333672
4-(3-aminoprop-1-enyl)-2-chloro-6-methoxyphenol
CID 169464704
(E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117285338
2-amino-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
CID 25033053
(E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine
CID 82286004
6-[(E)-3-aminoprop-1-enyl]-2-methoxy-3-(trifluoromethyl)phenol
CID 117369568
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
(E)-3-[3-(fluoromethyl)-4,5-dimethoxyphenyl]prop-2-en-1-amine
CID 117323427
(E)-3-[3-(difluoromethyl)-4,5-dimethoxyphenyl]prop-2-en-1-amine
CID 117359380
4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol
CID 117380355
5-[(E)-3-aminoprop-1-enyl]-3-ethoxy-2-methoxyphenol
CID 117319602

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol?
The IUPAC name of 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol (CID 117369569) is 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol?
The canonical SMILES for 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol is COc1cc(/C=C/CN)cc(C(F)(F)F)c1O.
What is the InChIKey of 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol?
The InChIKey is UMUYYEKFFXYGOF-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-17-9-6-7(3-2-4-15)5-8(10(9)16)11(12,13)14/h2-3,5-6,16H,4,15H2,1H3/b3-2+.
What are the key properties of 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol?
4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol has a molecular weight of 247.22 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol is sourced from PubChem (CID 117369569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).