2-(4-bromophenyl)-5-propan-2-ylmorpholine

C13H18BrNO — CID 79247039

IUPAC2-(4-bromophenyl)-5-propan-2-ylmorpholine
SMILESCC(C)C1COC(c2ccc(Br)cc2)CN1
InChIInChI=1S/C13H18BrNO/c1-9(2)12-8-16-13(7-15-12)10-3-5-11(14)6-4-10/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyTTZSXFPTBTTZKO-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.13
Rot. Bonds2

About 2-(4-bromophenyl)-5-propan-2-ylmorpholine

2-(4-bromophenyl)-5-propan-2-ylmorpholine (PubChem CID 79247039) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-propan-2-ylmorpholine
PubChem CID79247039
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-(4-bromophenyl)-5-propan-2-ylmorpholine
SMILESCC(C)C1COC(c2ccc(Br)cc2)CN1
InChIInChI=1S/C13H18BrNO/c1-9(2)12-8-16-13(7-15-12)10-3-5-11(14)6-4-10/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyTTZSXFPTBTTZKO-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-propan-2-ylmorpholine?
The IUPAC name of 2-(4-bromophenyl)-5-propan-2-ylmorpholine (CID 79247039) is 2-(4-bromophenyl)-5-propan-2-ylmorpholine.
What is the SMILES notation for 2-(4-bromophenyl)-5-propan-2-ylmorpholine?
The canonical SMILES for 2-(4-bromophenyl)-5-propan-2-ylmorpholine is CC(C)C1COC(c2ccc(Br)cc2)CN1.
What is the InChIKey of 2-(4-bromophenyl)-5-propan-2-ylmorpholine?
The InChIKey is TTZSXFPTBTTZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(2)12-8-16-13(7-15-12)10-3-5-11(14)6-4-10/h3-6,9,12-13,15H,7-8H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-5-propan-2-ylmorpholine?
2-(4-bromophenyl)-5-propan-2-ylmorpholine has a molecular weight of 284.20 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-propan-2-ylmorpholine is sourced from PubChem (CID 79247039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).