(E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine

C11H12FNO2 — CID 117298329

IUPAC(E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc2c(c1F)OCCO2
InChIInChI=1S/C11H12FNO2/c12-10-8(2-1-5-13)3-4-9-11(10)15-7-6-14-9/h1-4H,5-7,13H2/b2-1+
InChIKeyIUKMBFIXVHLENZ-OWOJBTEDSA-N
MW209.22 g/mol
LogP1.57
Rot. Bonds2

About (E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine

(E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine (PubChem CID 117298329) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is (E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine
PubChem CID117298329
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name(E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc2c(c1F)OCCO2
InChIInChI=1S/C11H12FNO2/c12-10-8(2-1-5-13)3-4-9-11(10)15-7-6-14-9/h1-4H,5-7,13H2/b2-1+
InChIKeyIUKMBFIXVHLENZ-OWOJBTEDSA-N
XLogP1.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)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

5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol
CID 117283406
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
(E)-3-(3-bromo-2,4-difluorophenyl)prop-2-en-1-amine
CID 117372632
3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine
CID 169463183
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117302508
(E)-3-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine
CID 117283537
4-(2,3-dihydro-1,4-benzodioxin-5-yl)but-3-enal
CID 91803560
(E)-3-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-en-1-amine
CID 117342264
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117302751
(E)-3-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine
CID 117351883
(E)-3-(6-bromo-1,3-benzodioxol-4-yl)prop-2-en-1-amine
CID 117393186
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 117302822

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine (CID 117298329) is (E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine is NC/C=C/c1ccc2c(c1F)OCCO2.
What is the InChIKey of (E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine?
The InChIKey is IUKMBFIXVHLENZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-10-8(2-1-5-13)3-4-9-11(10)15-7-6-14-9/h1-4H,5-7,13H2/b2-1+.
What are the key properties of (E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine?
(E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine has a molecular weight of 209.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-amine is sourced from PubChem (CID 117298329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).