1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one

C11H14BrNO — CID 117114995

IUPAC1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one
SMILESCC(=O)Cc1c(Br)cccc1N(C)C
InChIInChI=1S/C11H14BrNO/c1-8(14)7-9-10(12)5-4-6-11(9)13(2)3/h4-6H,7H2,1-3H3
InChIKeyFXIRGZIBHMXNRL-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.65
Rot. Bonds3

About 1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one

1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one (PubChem CID 117114995) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one
PubChem CID117114995
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one
SMILESCC(=O)Cc1c(Br)cccc1N(C)C
InChIInChI=1S/C11H14BrNO/c1-8(14)7-9-10(12)5-4-6-11(9)13(2)3/h4-6H,7H2,1-3H3
InChIKeyFXIRGZIBHMXNRL-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-bromo-6-(chloromethyl)phenyl]propan-2-one
CID 118821090
3-[2-bromo-6-(dimethylamino)phenyl]propanal
CID 117117777
1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one
CID 117450989
1-[3-bromo-2-(chloromethyl)phenyl]propan-2-one
CID 131050773
3-amino-1-[2-bromo-6-(dimethylamino)phenyl]propan-1-one
CID 115113463
1-[2-bromo-6-(fluoromethoxy)phenyl]propan-2-one
CID 134615503
1-(3-bromo-2-methylphenyl)propan-2-one
CID 83709858
2-[2-(dimethylamino)-6-fluorophenyl]acetic acid
CID 19899901
3-bromo-N,N,2-trimethylaniline
CID 107640986
3-(dimethylamino)-2-(2-methylprop-2-enyl)phenol
CID 12927727
4-[2,6-bis(dimethylamino)phenyl]-1-phenylbutan-2-one
CID 58465460
1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one
CID 175507424

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one?
The IUPAC name of 1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one (CID 117114995) is 1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one.
What is the SMILES notation for 1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one?
The canonical SMILES for 1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one is CC(=O)Cc1c(Br)cccc1N(C)C.
What is the InChIKey of 1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one?
The InChIKey is FXIRGZIBHMXNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8(14)7-9-10(12)5-4-6-11(9)13(2)3/h4-6H,7H2,1-3H3.
What are the key properties of 1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one?
1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one has a molecular weight of 256.14 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-6-(dimethylamino)phenyl]propan-2-one is sourced from PubChem (CID 117114995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).