[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine

C13H16FNO2 — CID 117346634

IUPAC[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine
SMILESNCC1(c2ccc(F)c3c2OCCO3)CCC1
InChIInChI=1S/C13H16FNO2/c14-10-3-2-9(13(8-15)4-1-5-13)11-12(10)17-7-6-16-11/h2-3H,1,4-8,15H2
InChIKeyIJFXVWKUPFWZPX-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.98
Rot. Bonds2

About [1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine

[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine (PubChem CID 117346634) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is [1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine
PubChem CID117346634
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine
SMILESNCC1(c2ccc(F)c3c2OCCO3)CCC1
InChIInChI=1S/C13H16FNO2/c14-10-3-2-9(13(8-15)4-1-5-13)11-12(10)17-7-6-16-11/h2-3H,1,4-8,15H2
InChIKeyIJFXVWKUPFWZPX-UHFFFAOYSA-N
XLogP1.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]cyclobutyl]methanamine
CID 117463419
6-[1-(aminomethyl)cyclobutyl]-3,4-dihydro-2H-1,5-benzodioxepine-9-carbaldehyde
CID 117407478
[1-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutyl]methanamine
CID 117371101
1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine
CID 117381226
[1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine
CID 117468475
[1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclohexyl]methanamine
CID 117413291
6-[1-(aminomethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxin-5-ol
CID 117376467
[1-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine
CID 117423233
[1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine
CID 117497247
[1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine
CID 117315960
[1-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 117315929
[1-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)cyclopentyl]methanamine
CID 117417446

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine (CID 117346634) is [1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine is NCC1(c2ccc(F)c3c2OCCO3)CCC1.
What is the InChIKey of [1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine?
The InChIKey is IJFXVWKUPFWZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-10-3-2-9(13(8-15)4-1-5-13)11-12(10)17-7-6-16-11/h2-3H,1,4-8,15H2.
What are the key properties of [1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine?
[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine has a molecular weight of 237.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine is sourced from PubChem (CID 117346634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).