4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine

C13H18FNO2 — CID 83922518

IUPAC4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine
SMILESCC(CCN)Cc1cc2c(cc1F)OCCO2
InChIInChI=1S/C13H18FNO2/c1-9(2-3-15)6-10-7-12-13(8-11(10)14)17-5-4-16-12/h7-9H,2-6,15H2,1H3
InChIKeyOTUMKEIRZCEEBK-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.12
Rot. Bonds4

About 4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine

4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine (PubChem CID 83922518) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine
PubChem CID83922518
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine
SMILESCC(CCN)Cc1cc2c(cc1F)OCCO2
InChIInChI=1S/C13H18FNO2/c1-9(2-3-15)6-10-7-12-13(8-11(10)14)17-5-4-16-12/h7-9H,2-6,15H2,1H3
InChIKeyOTUMKEIRZCEEBK-UHFFFAOYSA-N
XLogP2.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine with MolForge

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Related Compounds

3-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine
CID 117359405
2-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine
CID 115202335
7-(2-aminopropyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298618
2-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-amine
CID 116924968
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 115202644
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117323253
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117356386
3-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]butan-1-amine
CID 117439913
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051021
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride
CID 172650769
2-[1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-yl]propane-1,3-diamine
CID 83922223
1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol
CID 83922559

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine?
The IUPAC name of 4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine (CID 83922518) is 4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine?
The canonical SMILES for 4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine is CC(CCN)Cc1cc2c(cc1F)OCCO2.
What is the InChIKey of 4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine?
The InChIKey is OTUMKEIRZCEEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(2-3-15)6-10-7-12-13(8-11(10)14)17-5-4-16-12/h7-9H,2-6,15H2,1H3.
What are the key properties of 4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine?
4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine has a molecular weight of 239.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 83922518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).