(E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine

C11H14FNO2 — CID 6438383

IUPAC(E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine
SMILESCOc1ccc(/C(=C\F)CN)cc1OC
InChIInChI=1S/C11H14FNO2/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13/h3-6H,7,13H2,1-2H3/b9-6-
InChIKeyHLNSVKSSCLHOSW-TWGQIWQCSA-N
MW211.24 g/mol
LogP1.97
Rot. Bonds4

About (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine

(E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine (PubChem CID 6438383) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine
PubChem CID6438383
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name(E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine
SMILESCOc1ccc(/C(=C\F)CN)cc1OC
InChIInChI=1S/C11H14FNO2/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13/h3-6H,7,13H2,1-2H3/b9-6-
InChIKeyHLNSVKSSCLHOSW-TWGQIWQCSA-N
XLogP1.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-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

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine?
The IUPAC name of (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine (CID 6438383) is (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine is COc1ccc(/C(=C\F)CN)cc1OC.
What is the InChIKey of (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine?
The InChIKey is HLNSVKSSCLHOSW-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13/h3-6H,7,13H2,1-2H3/b9-6-.
What are the key properties of (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine?
(E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine has a molecular weight of 211.24 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 6438383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).