1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone

C16H16BrNO — CID 82703996

IUPAC1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone
SMILESCc1cccc(C)c1CC(=O)c1cc(Br)ccc1N
InChIInChI=1S/C16H16BrNO/c1-10-4-3-5-11(2)13(10)9-16(19)14-8-12(17)6-7-15(14)18/h3-8H,9,18H2,1-2H3
InChIKeyVHHSGEVCAHRMBN-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.07
Rot. Bonds3

About 1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone

1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone (PubChem CID 82703996) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone
PubChem CID82703996
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone
SMILESCc1cccc(C)c1CC(=O)c1cc(Br)ccc1N
InChIInChI=1S/C16H16BrNO/c1-10-4-3-5-11(2)13(10)9-16(19)14-8-12(17)6-7-15(14)18/h3-8H,9,18H2,1-2H3
InChIKeyVHHSGEVCAHRMBN-UHFFFAOYSA-N
XLogP4.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone?
The IUPAC name of 1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone (CID 82703996) is 1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone is Cc1cccc(C)c1CC(=O)c1cc(Br)ccc1N.
What is the InChIKey of 1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone?
The InChIKey is VHHSGEVCAHRMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-10-4-3-5-11(2)13(10)9-16(19)14-8-12(17)6-7-15(14)18/h3-8H,9,18H2,1-2H3.
What are the key properties of 1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone?
1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone has a molecular weight of 318.21 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 82703996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).