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

C11H14BrNO — CID 66806842

IUPAC4-(4-bromo-3-methylphenyl)morpholine
SMILESCc1cc(N2CCOCC2)ccc1Br
InChIInChI=1S/C11H14BrNO/c1-9-8-10(2-3-11(9)12)13-4-6-14-7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyVYOUNZXSEMFEBK-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.59
Rot. Bonds1

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

4-(4-bromo-3-methylphenyl)morpholine (PubChem CID 66806842) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenyl)morpholine.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenyl)morpholine
PubChem CID66806842
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name4-(4-bromo-3-methylphenyl)morpholine
SMILESCc1cc(N2CCOCC2)ccc1Br
InChIInChI=1S/C11H14BrNO/c1-9-8-10(2-3-11(9)12)13-4-6-14-7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyVYOUNZXSEMFEBK-UHFFFAOYSA-N
XLogP2.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenyl)morpholine?
The IUPAC name of 4-(4-bromo-3-methylphenyl)morpholine (CID 66806842) is 4-(4-bromo-3-methylphenyl)morpholine.
What is the SMILES notation for 4-(4-bromo-3-methylphenyl)morpholine?
The canonical SMILES for 4-(4-bromo-3-methylphenyl)morpholine is Cc1cc(N2CCOCC2)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-methylphenyl)morpholine?
The InChIKey is VYOUNZXSEMFEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-9-8-10(2-3-11(9)12)13-4-6-14-7-5-13/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(4-bromo-3-methylphenyl)morpholine?
4-(4-bromo-3-methylphenyl)morpholine has a molecular weight of 256.14 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenyl)morpholine is sourced from PubChem (CID 66806842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).