2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

C15H21BrN2O2 — CID 17402101

IUPAC2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)Nc2ccc(Br)cc2)CC(C)O1
InChIInChI=1S/C15H21BrN2O2/c1-10-8-18(9-11(2)20-10)15(19)12(3)17-14-6-4-13(16)5-7-14/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeyGQKZOMXQSFDRAK-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.89
Rot. Bonds3

About 2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 17402101) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID17402101
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)Nc2ccc(Br)cc2)CC(C)O1
InChIInChI=1S/C15H21BrN2O2/c1-10-8-18(9-11(2)20-10)15(19)12(3)17-14-6-4-13(16)5-7-14/h4-7,10-12,17H,8-9H2,1-3H3
InChIKeyGQKZOMXQSFDRAK-UHFFFAOYSA-N
XLogP2.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 17402101) is 2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)C(C)Nc2ccc(Br)cc2)CC(C)O1.
What is the InChIKey of 2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is GQKZOMXQSFDRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-8-18(9-11(2)20-10)15(19)12(3)17-14-6-4-13(16)5-7-14/h4-7,10-12,17H,8-9H2,1-3H3.
What are the key properties of 2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 341.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 17402101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).