2-(3-bromo-4-methylphenyl)morpholine

C11H14BrNO — CID 83730909

IUPAC2-(3-bromo-4-methylphenyl)morpholine
SMILESCc1ccc(C2CNCCO2)cc1Br
InChIInChI=1S/C11H14BrNO/c1-8-2-3-9(6-10(8)12)11-7-13-4-5-14-11/h2-3,6,11,13H,4-5,7H2,1H3
InChIKeyRZCPSKWIYMWCAJ-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.42
Rot. Bonds1

About 2-(3-bromo-4-methylphenyl)morpholine

2-(3-bromo-4-methylphenyl)morpholine (PubChem CID 83730909) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)morpholine.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)morpholine
PubChem CID83730909
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-(3-bromo-4-methylphenyl)morpholine
SMILESCc1ccc(C2CNCCO2)cc1Br
InChIInChI=1S/C11H14BrNO/c1-8-2-3-9(6-10(8)12)11-7-13-4-5-14-11/h2-3,6,11,13H,4-5,7H2,1H3
InChIKeyRZCPSKWIYMWCAJ-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)morpholine
CID 43169342
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
2-bromo-4-morpholin-2-ylphenol
CID 82623546
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202
2-(3-bromo-4-cyclopropylphenyl)morpholine
CID 117453196
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
2-(2-bromo-3,6-dimethylphenyl)morpholine
CID 84808936
2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971809
2-(3-methylphenyl)morpholine;hydrochloride
CID 71398912
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671
(2S)-2-(3-bromophenyl)morpholine
CID 28806253

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)morpholine?
The IUPAC name of 2-(3-bromo-4-methylphenyl)morpholine (CID 83730909) is 2-(3-bromo-4-methylphenyl)morpholine.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)morpholine?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)morpholine is Cc1ccc(C2CNCCO2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)morpholine?
The InChIKey is RZCPSKWIYMWCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8-2-3-9(6-10(8)12)11-7-13-4-5-14-11/h2-3,6,11,13H,4-5,7H2,1H3.
What are the key properties of 2-(3-bromo-4-methylphenyl)morpholine?
2-(3-bromo-4-methylphenyl)morpholine has a molecular weight of 256.14 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)morpholine is sourced from PubChem (CID 83730909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).