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

C18H26FNO2 — CID 117492418

IUPAC[1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine
SMILESCC(C)(F)c1cc2c(cc1C1(CN)CCCCC1)OCCO2
InChIInChI=1S/C18H26FNO2/c1-17(2,19)13-10-15-16(22-9-8-21-15)11-14(13)18(12-20)6-4-3-5-7-18/h10-11H,3-9,12,20H2,1-2H3
InChIKeyRGVAPGLTDFCCRX-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.82
Rot. Bonds3

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

[1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine (PubChem CID 117492418) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is [1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine
PubChem CID117492418
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name[1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine
SMILESCC(C)(F)c1cc2c(cc1C1(CN)CCCCC1)OCCO2
InChIInChI=1S/C18H26FNO2/c1-17(2,19)13-10-15-16(22-9-8-21-15)11-14(13)18(12-20)6-4-3-5-7-18/h10-11H,3-9,12,20H2,1-2H3
InChIKeyRGVAPGLTDFCCRX-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclopentyl]methanamine
CID 117485431
[1-[7-(1,1-difluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]cyclopentyl]methanamine
CID 117496246
1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclobutan-1-amine
CID 117417412
[1-[7-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclopentyl]methanamine
CID 117448091
7-[1-(aminomethyl)cyclobutyl]-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117342304
[1-[8-(1-fluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]cyclobutyl]methanamine
CID 117448115
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
CID 82493830
[1-[5-(1,1-difluoroethyl)-2-fluorophenyl]cyclohexyl]methanamine
CID 117431184
2-[7-(2-fluoropropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]ethanamine
CID 117386152
[1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine
CID 117421894
[1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclobutyl]methanamine
CID 117412717
[1-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]cyclohexyl]methanamine
CID 117456606

Frequently Asked Questions

What is the IUPAC name of [1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine?
The IUPAC name of [1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine (CID 117492418) is [1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine?
The canonical SMILES for [1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine is CC(C)(F)c1cc2c(cc1C1(CN)CCCCC1)OCCO2.
What is the InChIKey of [1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine?
The InChIKey is RGVAPGLTDFCCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-17(2,19)13-10-15-16(22-9-8-21-15)11-14(13)18(12-20)6-4-3-5-7-18/h10-11H,3-9,12,20H2,1-2H3.
What are the key properties of [1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine?
[1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine has a molecular weight of 307.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]cyclohexyl]methanamine is sourced from PubChem (CID 117492418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).