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

C16H23BrN2O2 — CID 4781200

IUPAC2-(4-bromo-2-methylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCc1cc(Br)ccc1NC(C)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C16H23BrN2O2/c1-10-7-14(17)5-6-15(10)18-13(4)16(20)19-8-11(2)21-12(3)9-19/h5-7,11-13,18H,8-9H2,1-4H3
InChIKeyNZDJMMKYBPQUNT-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.19
Rot. Bonds3

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

2-(4-bromo-2-methylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 4781200) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID4781200
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-(4-bromo-2-methylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCc1cc(Br)ccc1NC(C)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C16H23BrN2O2/c1-10-7-14(17)5-6-15(10)18-13(4)16(20)19-8-11(2)21-12(3)9-19/h5-7,11-13,18H,8-9H2,1-4H3
InChIKeyNZDJMMKYBPQUNT-UHFFFAOYSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-(4-bromo-2-methylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 4781200) is 2-(4-bromo-2-methylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-(4-bromo-2-methylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is Cc1cc(Br)ccc1NC(C)C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 2-(4-bromo-2-methylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is NZDJMMKYBPQUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-10-7-14(17)5-6-15(10)18-13(4)16(20)19-8-11(2)21-12(3)9-19/h5-7,11-13,18H,8-9H2,1-4H3.
What are the key properties of 2-(4-bromo-2-methylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
2-(4-bromo-2-methylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 355.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylanilino)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 4781200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).