[1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine

C13H16FNO2 — CID 117346641

IUPAC[1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine
SMILESNCC1(c2cc(F)cc3c2OCOC3)CCC1
InChIInChI=1S/C13H16FNO2/c14-10-4-9-6-16-8-17-12(9)11(5-10)13(7-15)2-1-3-13/h4-5H,1-3,6-8,15H2
InChIKeyMDJQFQDSMLCABD-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.07
Rot. Bonds2

About [1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine

[1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine (PubChem CID 117346641) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is [1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine
PubChem CID117346641
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name[1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine
SMILESNCC1(c2cc(F)cc3c2OCOC3)CCC1
InChIInChI=1S/C13H16FNO2/c14-10-4-9-6-16-8-17-12(9)11(5-10)13(7-15)2-1-3-13/h4-5H,1-3,6-8,15H2
InChIKeyMDJQFQDSMLCABD-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine
CID 117346664
(6-fluoro-4H-1,3-benzodioxin-8-yl)methanol
CID 2779909
6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride
CID 67416939
[1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine
CID 117403554
[1-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]cyclopentyl]methanamine
CID 117426300
[1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117346782
1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine
CID 117456869
[1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine
CID 117451462
6-[1-(aminomethyl)cyclohexyl]-4-fluoro-1,3-benzodioxol-5-ol
CID 117421572
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
[1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 117387232
[1-(6-chloro-5-fluoro-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
CID 117397545

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine (CID 117346641) is [1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine is NCC1(c2cc(F)cc3c2OCOC3)CCC1.
What is the InChIKey of [1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine?
The InChIKey is MDJQFQDSMLCABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-10-4-9-6-16-8-17-12(9)11(5-10)13(7-15)2-1-3-13/h4-5H,1-3,6-8,15H2.
What are the key properties of [1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine?
[1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine has a molecular weight of 237.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine is sourced from PubChem (CID 117346641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).