(E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine

C11H12F3NO — CID 115038095

IUPAC(E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine
SMILESCOc1cccc(/C=C(\CN)C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-16-10-4-2-3-8(6-10)5-9(7-15)11(12,13)14/h2-6H,7,15H2,1H3/b9-5+
InChIKeyBRTLGNVNKHMUOT-WEVVVXLNSA-N
MW231.22 g/mol
LogP2.60
Rot. Bonds3

About (E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine

(E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine (PubChem CID 115038095) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine
PubChem CID115038095
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name(E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine
SMILESCOc1cccc(/C=C(\CN)C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-16-10-4-2-3-8(6-10)5-9(7-15)11(12,13)14/h2-6H,7,15H2,1H3/b9-5+
InChIKeyBRTLGNVNKHMUOT-WEVVVXLNSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329386
1-[(Z)-2-ethoxy-3-fluoroprop-1-enyl]-3-methoxybenzene
CID 20530618
(Z)-2-amino-3-(3-methoxyphenyl)prop-2-enal
CID 134285602
(E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine
CID 115038096
(E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide
CID 5375231
3-(3-methoxyphenyl)-2-methylprop-2-enal
CID 54057122
methyl 2-amino-3-(3-methoxyphenyl)prop-2-enoate
CID 141072187
ethyl (E)-3-(3-methoxyphenyl)-2-methylprop-2-enoate
CID 104503715
(E)-2-bromo-3-(3-methoxyphenyl)prop-2-enal
CID 172528523
(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 2057524
1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene
CID 143675514
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine (CID 115038095) is (E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine is COc1cccc(/C=C(\CN)C(F)(F)F)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine?
The InChIKey is BRTLGNVNKHMUOT-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-16-10-4-2-3-8(6-10)5-9(7-15)11(12,13)14/h2-6H,7,15H2,1H3/b9-5+.
What are the key properties of (E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine?
(E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine has a molecular weight of 231.22 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine is sourced from PubChem (CID 115038095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).