3-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,N-dimethylpropan-1-amine

C11H16BrNO2S — CID 170867134

IUPAC3-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1sc(Br)c2c1OCCO2
InChIInChI=1S/C11H16BrNO2S/c1-13(2)5-3-4-8-9-10(11(12)16-8)15-7-6-14-9/h3-7H2,1-2H3
InChIKeyUCRQPFWGGZKESO-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.78
Rot. Bonds4

About 3-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,N-dimethylpropan-1-amine

3-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,N-dimethylpropan-1-amine (PubChem CID 170867134) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 3-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,N-dimethylpropan-1-amine
PubChem CID170867134
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name3-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1sc(Br)c2c1OCCO2
InChIInChI=1S/C11H16BrNO2S/c1-13(2)5-3-4-8-9-10(11(12)16-8)15-7-6-14-9/h3-7H2,1-2H3
InChIKeyUCRQPFWGGZKESO-UHFFFAOYSA-N
XLogP2.78
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,N-dimethylpropan-1-amine (CID 170867134) is 3-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1sc(Br)c2c1OCCO2.
What is the InChIKey of 3-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is UCRQPFWGGZKESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-13(2)5-3-4-8-9-10(11(12)16-8)15-7-6-14-9/h3-7H2,1-2H3.
What are the key properties of 3-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,N-dimethylpropan-1-amine?
3-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 306.23 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170867134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).