1-(4-bromophenyl)-1-(methylamino)propan-2-one

C10H12BrNO — CID 116955809

IUPAC1-(4-bromophenyl)-1-(methylamino)propan-2-one
SMILESCNC(C(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO/c1-7(13)10(12-2)8-3-5-9(11)6-4-8/h3-6,10,12H,1-2H3
InChIKeyIMGSMQZPZRLVIN-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.30
Rot. Bonds3

About 1-(4-bromophenyl)-1-(methylamino)propan-2-one

1-(4-bromophenyl)-1-(methylamino)propan-2-one (PubChem CID 116955809) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(methylamino)propan-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(methylamino)propan-2-one
PubChem CID116955809
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name1-(4-bromophenyl)-1-(methylamino)propan-2-one
SMILESCNC(C(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO/c1-7(13)10(12-2)8-3-5-9(11)6-4-8/h3-6,10,12H,1-2H3
InChIKeyIMGSMQZPZRLVIN-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromomethcathinone
CID 10354356
1-(4-Bromophenyl)-2-(tert-butylamino)propan-1-one
CID 44542509
N-Benzyl-2-(4-bromo-phenyl)-acetamide
CID 670038
4-Bromo-N-methylbenzamide
CID 186113
4-Bromomethcathinone
CID 10421832
4-Bromoethcathinone
CID 82100370
4-bromo-N-phenacylbenzamide
CID 732474
2-Amino-1-(4-bromophenyl)propan-1-one hydrochloride
CID 3070916
Isopentedrone
CID 91710915
2-(4-bromophenyl)-N-(pentan-2-yl)acetamide
CID 2905249
3-(4-Bromophenyl)aziridin-2-yl phenyl ketone
CID 3106704
2,6-Bis(4-bromophenyl)-3,5-dimethylpiperidin-4-one
CID 6621361

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(methylamino)propan-2-one?
The IUPAC name of 1-(4-bromophenyl)-1-(methylamino)propan-2-one (CID 116955809) is 1-(4-bromophenyl)-1-(methylamino)propan-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-1-(methylamino)propan-2-one?
The canonical SMILES for 1-(4-bromophenyl)-1-(methylamino)propan-2-one is CNC(C(C)=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-(methylamino)propan-2-one?
The InChIKey is IMGSMQZPZRLVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-7(13)10(12-2)8-3-5-9(11)6-4-8/h3-6,10,12H,1-2H3.
What are the key properties of 1-(4-bromophenyl)-1-(methylamino)propan-2-one?
1-(4-bromophenyl)-1-(methylamino)propan-2-one has a molecular weight of 242.12 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(methylamino)propan-2-one is sourced from PubChem (CID 116955809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).