2-(5-bromo-1-benzofuran-2-yl)morpholine

C12H12BrNO2 — CID 43350796

IUPAC2-(5-bromo-1-benzofuran-2-yl)morpholine
SMILESBrc1ccc2oc(C3CNCCO3)cc2c1
InChIInChI=1S/C12H12BrNO2/c13-9-1-2-10-8(5-9)6-11(16-10)12-7-14-3-4-15-12/h1-2,5-6,12,14H,3-4,7H2
InChIKeyXUSUGFHFWPFCHR-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.86
Rot. Bonds1

About 2-(5-bromo-1-benzofuran-2-yl)morpholine

2-(5-bromo-1-benzofuran-2-yl)morpholine (PubChem CID 43350796) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(5-bromo-1-benzofuran-2-yl)morpholine.

Molecular Properties

Compound Name2-(5-bromo-1-benzofuran-2-yl)morpholine
PubChem CID43350796
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name2-(5-bromo-1-benzofuran-2-yl)morpholine
SMILESBrc1ccc2oc(C3CNCCO3)cc2c1
InChIInChI=1S/C12H12BrNO2/c13-9-1-2-10-8(5-9)6-11(16-10)12-7-14-3-4-15-12/h1-2,5-6,12,14H,3-4,7H2
InChIKeyXUSUGFHFWPFCHR-UHFFFAOYSA-N
XLogP2.86
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran
CID 30121829
2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane
CID 65103645
6-bromo-3-morpholin-2-ylnaphthalen-2-ol
CID 117493024
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
2-(5-bromo-2-chlorophenyl)morpholine
CID 83745002
2-(5-bromo-2-cyclopropyloxyphenyl)morpholine
CID 117479953
2-bromo-4-morpholin-2-ylphenol
CID 82623546
4-bromo-3-morpholin-2-ylphenol
CID 83732516
3-bromo-4-morpholin-2-ylphenol
CID 82623544
(2S)-2-(furan-2-yl)morpholine
CID 42182763
2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine
CID 115111889
3-(5-bromo-1-benzofuran-2-yl)-2,2-dimethylcyclobutan-1-one
CID 81416509

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-benzofuran-2-yl)morpholine?
The IUPAC name of 2-(5-bromo-1-benzofuran-2-yl)morpholine (CID 43350796) is 2-(5-bromo-1-benzofuran-2-yl)morpholine.
What is the SMILES notation for 2-(5-bromo-1-benzofuran-2-yl)morpholine?
The canonical SMILES for 2-(5-bromo-1-benzofuran-2-yl)morpholine is Brc1ccc2oc(C3CNCCO3)cc2c1.
What is the InChIKey of 2-(5-bromo-1-benzofuran-2-yl)morpholine?
The InChIKey is XUSUGFHFWPFCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c13-9-1-2-10-8(5-9)6-11(16-10)12-7-14-3-4-15-12/h1-2,5-6,12,14H,3-4,7H2.
What are the key properties of 2-(5-bromo-1-benzofuran-2-yl)morpholine?
2-(5-bromo-1-benzofuran-2-yl)morpholine has a molecular weight of 282.14 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-benzofuran-2-yl)morpholine is sourced from PubChem (CID 43350796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).