6-(3-bromoanilino)-4,4-dimethyl-2-phenyloxazinan-3-one

C18H19BrN2O2 — CID 132549798

IUPAC6-(3-bromoanilino)-4,4-dimethyl-2-phenyloxazinan-3-one
SMILESCC1(C)CC(Nc2cccc(Br)c2)ON(c2ccccc2)C1=O
InChIInChI=1S/C18H19BrN2O2/c1-18(2)12-16(20-14-8-6-7-13(19)11-14)23-21(17(18)22)15-9-4-3-5-10-15/h3-11,16,20H,12H2,1-2H3
InChIKeyANYAPFQYWINAKB-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.58
Rot. Bonds3

About 6-(3-bromoanilino)-4,4-dimethyl-2-phenyloxazinan-3-one

6-(3-bromoanilino)-4,4-dimethyl-2-phenyloxazinan-3-one (PubChem CID 132549798) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 6-(3-bromoanilino)-4,4-dimethyl-2-phenyloxazinan-3-one.

Molecular Properties

Compound Name6-(3-bromoanilino)-4,4-dimethyl-2-phenyloxazinan-3-one
PubChem CID132549798
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name6-(3-bromoanilino)-4,4-dimethyl-2-phenyloxazinan-3-one
SMILESCC1(C)CC(Nc2cccc(Br)c2)ON(c2ccccc2)C1=O
InChIInChI=1S/C18H19BrN2O2/c1-18(2)12-16(20-14-8-6-7-13(19)11-14)23-21(17(18)22)15-9-4-3-5-10-15/h3-11,16,20H,12H2,1-2H3
InChIKeyANYAPFQYWINAKB-UHFFFAOYSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 112681853
5-hydroxy-4,4-dimethyl-2-phenyl-1,2-oxazolidin-3-one
CID 134102918
3-(3-bromoanilino)-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 43860822
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
1-(3-bromophenyl)-2,2-dimethyl-5-oxopyrrolidine-3-carboxylic acid
CID 117022889
1-(3-bromophenyl)-3,3-dimethyl-4-phenylazetidin-2-one
CID 102105437
1-(3-bromoanilino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 60992999
3-bromo-N-(4-phenylcyclohexyl)aniline
CID 29031587
N-(3-bromophenyl)-3-[(1R,9R)-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-10-yl]benzamide
CID 92715291
2-(3-bromoanilino)cyclobutane-1-carboxylic acid
CID 103234478
1-(3-bromophenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018258
dimethyl (3S)-3-(3-bromophenyl)-2-phenyl-3H-1,2-oxazole-4,5-dicarboxylate
CID 56964186

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoanilino)-4,4-dimethyl-2-phenyloxazinan-3-one?
The IUPAC name of 6-(3-bromoanilino)-4,4-dimethyl-2-phenyloxazinan-3-one (CID 132549798) is 6-(3-bromoanilino)-4,4-dimethyl-2-phenyloxazinan-3-one.
What is the SMILES notation for 6-(3-bromoanilino)-4,4-dimethyl-2-phenyloxazinan-3-one?
The canonical SMILES for 6-(3-bromoanilino)-4,4-dimethyl-2-phenyloxazinan-3-one is CC1(C)CC(Nc2cccc(Br)c2)ON(c2ccccc2)C1=O.
What is the InChIKey of 6-(3-bromoanilino)-4,4-dimethyl-2-phenyloxazinan-3-one?
The InChIKey is ANYAPFQYWINAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-18(2)12-16(20-14-8-6-7-13(19)11-14)23-21(17(18)22)15-9-4-3-5-10-15/h3-11,16,20H,12H2,1-2H3.
What are the key properties of 6-(3-bromoanilino)-4,4-dimethyl-2-phenyloxazinan-3-one?
6-(3-bromoanilino)-4,4-dimethyl-2-phenyloxazinan-3-one has a molecular weight of 375.27 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoanilino)-4,4-dimethyl-2-phenyloxazinan-3-one is sourced from PubChem (CID 132549798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).