[1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine

C16H22FNO3 — CID 117476076

IUPAC[1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine
SMILESCOc1c(F)cc2c(c1C1(CN)CCCCC1)OCCO2
InChIInChI=1S/C16H22FNO3/c1-19-14-11(17)9-12-15(21-8-7-20-12)13(14)16(10-18)5-3-2-4-6-16/h9H,2-8,10,18H2,1H3
InChIKeyZSGIXNUTXXWDQL-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.77
Rot. Bonds3

About [1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine

[1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine (PubChem CID 117476076) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is [1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine
PubChem CID117476076
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name[1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine
SMILESCOc1c(F)cc2c(c1C1(CN)CCCCC1)OCCO2
InChIInChI=1S/C16H22FNO3/c1-19-14-11(17)9-12-15(21-8-7-20-12)13(14)16(10-18)5-3-2-4-6-16/h9H,2-8,10,18H2,1H3
InChIKeyZSGIXNUTXXWDQL-UHFFFAOYSA-N
XLogP2.77
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine with MolForge

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Related Compounds

1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxylic acid
CID 117495294
[1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
CID 117499180
[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine
CID 117460449
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281
[1-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)cyclopentyl]methanamine
CID 117417446
[1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclohexyl]methanamine
CID 117451462
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
3-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117354974
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
[1-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methanamine
CID 117342455
1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 84789967
3-[1-(aminomethyl)cyclohexyl]-2-fluoro-4,5-dimethoxyphenol
CID 117455550

Frequently Asked Questions

What is the IUPAC name of [1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine (CID 117476076) is [1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine is COc1c(F)cc2c(c1C1(CN)CCCCC1)OCCO2.
What is the InChIKey of [1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine?
The InChIKey is ZSGIXNUTXXWDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-19-14-11(17)9-12-15(21-8-7-20-12)13(14)16(10-18)5-3-2-4-6-16/h9H,2-8,10,18H2,1H3.
What are the key properties of [1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine?
[1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine has a molecular weight of 295.35 g/mol, XLogP of 2.77, 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-2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117476076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).