2-(4-bromo-2-chlorophenyl)-6-pentan-3-ylmorpholine

C15H21BrClNO — CID 106288346

IUPAC2-(4-bromo-2-chlorophenyl)-6-pentan-3-ylmorpholine
SMILESCCC(CC)C1CNCC(c2ccc(Br)cc2Cl)O1
InChIInChI=1S/C15H21BrClNO/c1-3-10(4-2)14-8-18-9-15(19-14)12-6-5-11(16)7-13(12)17/h5-7,10,14-15,18H,3-4,8-9H2,1-2H3
InChIKeyFNRDGHNVIMGWRP-UHFFFAOYSA-N
MW346.70 g/mol
LogP4.57
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-6-pentan-3-ylmorpholine

2-(4-bromo-2-chlorophenyl)-6-pentan-3-ylmorpholine (PubChem CID 106288346) has the molecular formula C15H21BrClNO and a molecular weight of 346.70 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-6-pentan-3-ylmorpholine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-6-pentan-3-ylmorpholine
PubChem CID106288346
Molecular FormulaC15H21BrClNO
Molecular Weight346.70 g/mol
Exact Mass345.05
IUPAC Name2-(4-bromo-2-chlorophenyl)-6-pentan-3-ylmorpholine
SMILESCCC(CC)C1CNCC(c2ccc(Br)cc2Cl)O1
InChIInChI=1S/C15H21BrClNO/c1-3-10(4-2)14-8-18-9-15(19-14)12-6-5-11(16)7-13(12)17/h5-7,10,14-15,18H,3-4,8-9H2,1-2H3
InChIKeyFNRDGHNVIMGWRP-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-6-pentan-3-ylmorpholine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-6-pentan-3-ylmorpholine (CID 106288346) is 2-(4-bromo-2-chlorophenyl)-6-pentan-3-ylmorpholine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-6-pentan-3-ylmorpholine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-6-pentan-3-ylmorpholine is CCC(CC)C1CNCC(c2ccc(Br)cc2Cl)O1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-6-pentan-3-ylmorpholine?
The InChIKey is FNRDGHNVIMGWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO/c1-3-10(4-2)14-8-18-9-15(19-14)12-6-5-11(16)7-13(12)17/h5-7,10,14-15,18H,3-4,8-9H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-6-pentan-3-ylmorpholine?
2-(4-bromo-2-chlorophenyl)-6-pentan-3-ylmorpholine has a molecular weight of 346.70 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-6-pentan-3-ylmorpholine is sourced from PubChem (CID 106288346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).