2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylmorpholin-4-yl)ethanamine

C15H21BrN2O3 — CID 43143954

IUPAC2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylmorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2cc(Br)c3c(c2)OCCO3)CCO1
InChIInChI=1S/C15H21BrN2O3/c1-10-9-18(2-3-19-10)13(8-17)11-6-12(16)15-14(7-11)20-4-5-21-15/h6-7,10,13H,2-5,8-9,17H2,1H3
InChIKeyOISPXFUGTQSVAP-UHFFFAOYSA-N
MW357.25 g/mol
LogP1.94
Rot. Bonds3

About 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylmorpholin-4-yl)ethanamine

2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylmorpholin-4-yl)ethanamine (PubChem CID 43143954) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylmorpholin-4-yl)ethanamine
PubChem CID43143954
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylmorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2cc(Br)c3c(c2)OCCO3)CCO1
InChIInChI=1S/C15H21BrN2O3/c1-10-9-18(2-3-19-10)13(8-17)11-6-12(16)15-14(7-11)20-4-5-21-15/h6-7,10,13H,2-5,8-9,17H2,1H3
InChIKeyOISPXFUGTQSVAP-UHFFFAOYSA-N
XLogP1.94
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 23723100
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CID 2984782
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CID 2960112
CID 2960112
CID 2981492
CID 2981492
CID 15944713
CID 15944713
CID 24746788
CID 24746788
CID 68309930
CID 68309930
CID 68309931
CID 68309931
CID 23723120
CID 23723120
CID 2951360
CID 2951360
CID 2951532
CID 2951532
CID 3407391
CID 3407391

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylmorpholin-4-yl)ethanamine (CID 43143954) is 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylmorpholin-4-yl)ethanamine is CC1CN(C(CN)c2cc(Br)c3c(c2)OCCO3)CCO1.
What is the InChIKey of 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylmorpholin-4-yl)ethanamine?
The InChIKey is OISPXFUGTQSVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-10-9-18(2-3-19-10)13(8-17)11-6-12(16)15-14(7-11)20-4-5-21-15/h6-7,10,13H,2-5,8-9,17H2,1H3.
What are the key properties of 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylmorpholin-4-yl)ethanamine?
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylmorpholin-4-yl)ethanamine has a molecular weight of 357.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 43143954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).