1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine

C18H27NO2 — CID 104989112

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)OCCO2)C1CCC(C)C(C)C1
InChIInChI=1S/C18H27NO2/c1-12-4-5-14(10-13(12)2)18(19-3)15-6-7-16-17(11-15)21-9-8-20-16/h6-7,11-14,18-19H,4-5,8-10H2,1-3H3
InChIKeyLNESJABJZYTKPV-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.79
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine (PubChem CID 104989112) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
PubChem CID104989112
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)OCCO2)C1CCC(C)C(C)C1
InChIInChI=1S/C18H27NO2/c1-12-4-5-14(10-13(12)2)18(19-3)15-6-7-16-17(11-15)21-9-8-20-16/h6-7,11-14,18-19H,4-5,8-10H2,1-3H3
InChIKeyLNESJABJZYTKPV-UHFFFAOYSA-N
XLogP3.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine (CID 104989112) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine is CNC(c1ccc2c(c1)OCCO2)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine?
The InChIKey is LNESJABJZYTKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-12-4-5-14(10-13(12)2)18(19-3)15-6-7-16-17(11-15)21-9-8-20-16/h6-7,11-14,18-19H,4-5,8-10H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine has a molecular weight of 289.42 g/mol, XLogP of 3.79, 3 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)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 104989112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).