1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone

C12H16BrNO — CID 82967352

IUPAC1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone
SMILESCCCN(C)c1ccc(Br)cc1C(C)=O
InChIInChI=1S/C12H16BrNO/c1-4-7-14(3)12-6-5-10(13)8-11(12)9(2)15/h5-6,8H,4,7H2,1-3H3
InChIKeyTUNLYWFNLHDVSP-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.50
Rot. Bonds4

About 1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone

1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone (PubChem CID 82967352) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone
PubChem CID82967352
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone
SMILESCCCN(C)c1ccc(Br)cc1C(C)=O
InChIInChI=1S/C12H16BrNO/c1-4-7-14(3)12-6-5-10(13)8-11(12)9(2)15/h5-6,8H,4,7H2,1-3H3
InChIKeyTUNLYWFNLHDVSP-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[methyl(propyl)amino]benzenecarbothioamide
CID 114891329
5-bromo-2-[methyl(propyl)amino]benzenecarboximidamide
CID 114892861
1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone
CID 82966709
1-[5-bromo-2-[propyl(prop-2-ynyl)amino]phenyl]ethanone
CID 82967230
1-[5-bromo-2-[methyl(pentan-3-yl)amino]phenyl]ethanone
CID 82967354
1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 82967281
3-(4-bromo-2-carbamoyl-N-methylanilino)propanoic acid
CID 114890015
1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone
CID 82967364
1-[5-bromo-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanone
CID 82966904
N-(2-acetyl-4-bromophenyl)-N-formylpropanamide
CID 142451491
1-[5-bromo-2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanone
CID 82966661
3-methyl-4-[methyl(propyl)amino]benzoic acid
CID 62120072

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone?
The IUPAC name of 1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone (CID 82967352) is 1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone is CCCN(C)c1ccc(Br)cc1C(C)=O.
What is the InChIKey of 1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone?
The InChIKey is TUNLYWFNLHDVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-4-7-14(3)12-6-5-10(13)8-11(12)9(2)15/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone?
1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone has a molecular weight of 270.17 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone is sourced from PubChem (CID 82967352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).