2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine

C13H16BrNO2 — CID 117479951

IUPAC2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine
SMILESCC1Cc2cc(C3CNCCO3)cc(Br)c2O1
InChIInChI=1S/C13H16BrNO2/c1-8-4-10-5-9(6-11(14)13(10)17-8)12-7-15-2-3-16-12/h5-6,8,12,15H,2-4,7H2,1H3
InChIKeyLKZOOBRRBXFBMD-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.43
Rot. Bonds1

About 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine

2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine (PubChem CID 117479951) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine.

Molecular Properties

Compound Name2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine
PubChem CID117479951
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine
SMILESCC1Cc2cc(C3CNCCO3)cc(Br)c2O1
InChIInChI=1S/C13H16BrNO2/c1-8-4-10-5-9(6-11(14)13(10)17-8)12-7-15-2-3-16-12/h5-6,8,12,15H,2-4,7H2,1H3
InChIKeyLKZOOBRRBXFBMD-UHFFFAOYSA-N
XLogP2.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117477291
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
2-bromo-4-morpholin-2-ylphenol
CID 82623546
4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117495209
2-(3,5-dimethoxyphenyl)morpholine
CID 53414236
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
2-(3-bromo-4-cyclopropylphenyl)morpholine
CID 117453196
2-(3-bromo-5-ethylphenyl)morpholine
CID 84808928
2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 84809035
2-(3-chloro-5-methylphenyl)morpholine
CID 83703313
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine?
The IUPAC name of 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine (CID 117479951) is 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine.
What is the SMILES notation for 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine?
The canonical SMILES for 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine is CC1Cc2cc(C3CNCCO3)cc(Br)c2O1.
What is the InChIKey of 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine?
The InChIKey is LKZOOBRRBXFBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-8-4-10-5-9(6-11(14)13(10)17-8)12-7-15-2-3-16-12/h5-6,8,12,15H,2-4,7H2,1H3.
What are the key properties of 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine?
2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine has a molecular weight of 298.18 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine is sourced from PubChem (CID 117479951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).