2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylcyclohexyl)methanamine

C17H25NO2 — CID 65352908

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylcyclohexyl)methanamine
SMILESCC1CC(C)CC(C(N)C2COc3ccccc3O2)C1
InChIInChI=1S/C17H25NO2/c1-11-7-12(2)9-13(8-11)17(18)16-10-19-14-5-3-4-6-15(14)20-16/h3-6,11-13,16-17H,7-10,18H2,1-2H3
InChIKeyBRCOLXTZQBDGQL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.23
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylcyclohexyl)methanamine

2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylcyclohexyl)methanamine (PubChem CID 65352908) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylcyclohexyl)methanamine
PubChem CID65352908
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylcyclohexyl)methanamine
SMILESCC1CC(C)CC(C(N)C2COc3ccccc3O2)C1
InChIInChI=1S/C17H25NO2/c1-11-7-12(2)9-13(8-11)17(18)16-10-19-14-5-3-4-6-15(14)20-16/h3-6,11-13,16-17H,7-10,18H2,1-2H3
InChIKeyBRCOLXTZQBDGQL-UHFFFAOYSA-N
XLogP3.23
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylcyclohexyl)methanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylcyclohexyl)methanamine (CID 65352908) is 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylcyclohexyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylcyclohexyl)methanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylcyclohexyl)methanamine is CC1CC(C)CC(C(N)C2COc3ccccc3O2)C1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylcyclohexyl)methanamine?
The InChIKey is BRCOLXTZQBDGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11-7-12(2)9-13(8-11)17(18)16-10-19-14-5-3-4-6-15(14)20-16/h3-6,11-13,16-17H,7-10,18H2,1-2H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylcyclohexyl)methanamine?
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylcyclohexyl)methanamine has a molecular weight of 275.39 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 65352908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).