2-(3-bromo-5-ethylphenyl)morpholine

C12H16BrNO — CID 84808928

IUPAC2-(3-bromo-5-ethylphenyl)morpholine
SMILESCCc1cc(Br)cc(C2CNCCO2)c1
InChIInChI=1S/C12H16BrNO/c1-2-9-5-10(7-11(13)6-9)12-8-14-3-4-15-12/h5-7,12,14H,2-4,8H2,1H3
InChIKeyCVYLRKIRILZHRU-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.67
Rot. Bonds2

About 2-(3-bromo-5-ethylphenyl)morpholine

2-(3-bromo-5-ethylphenyl)morpholine (PubChem CID 84808928) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(3-bromo-5-ethylphenyl)morpholine.

Molecular Properties

Compound Name2-(3-bromo-5-ethylphenyl)morpholine
PubChem CID84808928
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(3-bromo-5-ethylphenyl)morpholine
SMILESCCc1cc(Br)cc(C2CNCCO2)c1
InChIInChI=1S/C12H16BrNO/c1-2-9-5-10(7-11(13)6-9)12-8-14-3-4-15-12/h5-7,12,14H,2-4,8H2,1H3
InChIKeyCVYLRKIRILZHRU-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-bromophenyl)morpholine
CID 28806253
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671
2-(3,5-dimethoxyphenyl)morpholine
CID 53414236
2-(3-chloro-5-methylphenyl)morpholine
CID 83703313
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
4-bromo-2-methyl-6-morpholin-2-ylphenol
CID 117432760
2-(5-bromothiophen-3-yl)morpholine
CID 131207648
2-(3,4-dimethylphenyl)morpholine
CID 43169342
2-(4-bromo-2,3,5,6-tetrafluorophenyl)morpholine
CID 115111889
2-chloro-6-methyl-4-morpholin-2-ylphenol
CID 84791758
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
2-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)morpholine
CID 117479951

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-ethylphenyl)morpholine?
The IUPAC name of 2-(3-bromo-5-ethylphenyl)morpholine (CID 84808928) is 2-(3-bromo-5-ethylphenyl)morpholine.
What is the SMILES notation for 2-(3-bromo-5-ethylphenyl)morpholine?
The canonical SMILES for 2-(3-bromo-5-ethylphenyl)morpholine is CCc1cc(Br)cc(C2CNCCO2)c1.
What is the InChIKey of 2-(3-bromo-5-ethylphenyl)morpholine?
The InChIKey is CVYLRKIRILZHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-2-9-5-10(7-11(13)6-9)12-8-14-3-4-15-12/h5-7,12,14H,2-4,8H2,1H3.
What are the key properties of 2-(3-bromo-5-ethylphenyl)morpholine?
2-(3-bromo-5-ethylphenyl)morpholine has a molecular weight of 270.17 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-ethylphenyl)morpholine is sourced from PubChem (CID 84808928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).