1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine

C17H27NO2 — CID 43483285

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H27NO2/c1-3-4-5-6-7-8-15(18-2)14-9-10-16-17(13-14)20-12-11-19-16/h9-10,13,15,18H,3-8,11-12H2,1-2H3
InChIKeyQRFXZRIWGBBPAT-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.08
Rot. Bonds8

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine (PubChem CID 43483285) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine
PubChem CID43483285
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine
SMILESCCCCCCCC(NC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H27NO2/c1-3-4-5-6-7-8-15(18-2)14-9-10-16-17(13-14)20-12-11-19-16/h9-10,13,15,18H,3-8,11-12H2,1-2H3
InChIKeyQRFXZRIWGBBPAT-UHFFFAOYSA-N
XLogP4.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylnonan-1-amine
CID 65447633
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyloctan-1-amine
CID 43490459
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloct-7-en-1-amine
CID 107011502
6-(1-bromodecyl)-2,3-dihydro-1,4-benzodioxine
CID 22079611
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
CID 28979698
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 64813643
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 95445608
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023810
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-N-methylpropan-1-amine
CID 55115956
6-(1-bromohexyl)-2,3-dihydro-1,4-benzodioxine
CID 55199144
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylheptan-1-amine
CID 114752364

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine (CID 43483285) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine is CCCCCCCC(NC)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine?
The InChIKey is QRFXZRIWGBBPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-4-5-6-7-8-15(18-2)14-9-10-16-17(13-14)20-12-11-19-16/h9-10,13,15,18H,3-8,11-12H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine is sourced from PubChem (CID 43483285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).