2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

C17H24N2O2 — CID 115997961

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCN1C2CCC1CC(C(N)c1ccc3c(c1)OCCO3)C2
InChIInChI=1S/C17H24N2O2/c1-19-13-3-4-14(19)9-12(8-13)17(18)11-2-5-15-16(10-11)21-7-6-20-15/h2,5,10,12-14,17H,3-4,6-9,18H2,1H3
InChIKeyOFWFUUPXBJNOQQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.33
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine

2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (PubChem CID 115997961) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
PubChem CID115997961
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
SMILESCN1C2CCC1CC(C(N)c1ccc3c(c1)OCCO3)C2
InChIInChI=1S/C17H24N2O2/c1-19-13-3-4-14(19)9-12(8-13)17(18)11-2-5-15-16(10-11)21-7-6-20-15/h2,5,10,12-14,17H,3-4,6-9,18H2,1H3
InChIKeyOFWFUUPXBJNOQQ-UHFFFAOYSA-N
XLogP2.33
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclooctyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 65018205
(3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998021
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086940
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131628
(1R,2R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol
CID 122470624
cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086943
1-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]ethanamine
CID 63595990
1,3-benzodioxol-5-yl(cycloheptyl)methanamine
CID 82931380
2,3-dihydro-1,4-benzodioxin-6-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010101
(S)-1,3-benzodioxol-5-yl(cyclohexyl)methanamine;hydrochloride
CID 171236430
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 104542827
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpiperidin-2-yl)ethanamine
CID 83986778

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine (CID 115997961) is 2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is CN1C2CCC1CC(C(N)c1ccc3c(c1)OCCO3)C2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
The InChIKey is OFWFUUPXBJNOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19-13-3-4-14(19)9-12(8-13)17(18)11-2-5-15-16(10-11)21-7-6-20-15/h2,5,10,12-14,17H,3-4,6-9,18H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine?
2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine has a molecular weight of 288.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine is sourced from PubChem (CID 115997961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).