[1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine

C15H20FNO3 — CID 117451462

IUPAC[1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine
SMILESCOc1c(C2(CN)CCCCC2)cc2c(c1F)OCO2
InChIInChI=1S/C15H20FNO3/c1-18-13-10(15(8-17)5-3-2-4-6-15)7-11-14(12(13)16)20-9-19-11/h7H,2-6,8-9,17H2,1H3
InChIKeyFJBISEAKNYCMHW-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.72
Rot. Bonds3

About [1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine

[1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine (PubChem CID 117451462) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is [1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine
PubChem CID117451462
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name[1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine
SMILESCOc1c(C2(CN)CCCCC2)cc2c(c1F)OCO2
InChIInChI=1S/C15H20FNO3/c1-18-13-10(15(8-17)5-3-2-4-6-15)7-11-14(12(13)16)20-9-19-11/h7H,2-6,8-9,17H2,1H3
InChIKeyFJBISEAKNYCMHW-UHFFFAOYSA-N
XLogP2.72
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine with MolForge

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Related Compounds

6-[1-(aminomethyl)cyclohexyl]-4-fluoro-1,3-benzodioxol-5-ol
CID 117421572
1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol
CID 117324895
[1-(4-fluoro-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117346782
[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459551
[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379
[1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
CID 117499180
[1-(7-bromo-6-methyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117496965
[1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117496963
[1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)cyclopentyl]methanamine
CID 117452651
[1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine
CID 117476076
4-fluoro-6-(1-isocyanatocyclopropyl)-5-methoxy-1,3-benzodioxole
CID 117380373
[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 84794179

Frequently Asked Questions

What is the IUPAC name of [1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine (CID 117451462) is [1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine is COc1c(C2(CN)CCCCC2)cc2c(c1F)OCO2.
What is the InChIKey of [1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine?
The InChIKey is FJBISEAKNYCMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-18-13-10(15(8-17)5-3-2-4-6-15)7-11-14(12(13)16)20-9-19-11/h7H,2-6,8-9,17H2,1H3.
What are the key properties of [1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine?
[1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine has a molecular weight of 281.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117451462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).