2-(4-bromophenyl)-2-(methylamino)acetaldehyde

C9H10BrNO — CID 116954131

IUPAC2-(4-bromophenyl)-2-(methylamino)acetaldehyde
SMILESCNC(C=O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO/c1-11-9(6-12)7-2-4-8(10)5-3-7/h2-6,9,11H,1H3
InChIKeyOAIGEEYWIHFSOG-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.91
Rot. Bonds3

About 2-(4-bromophenyl)-2-(methylamino)acetaldehyde

2-(4-bromophenyl)-2-(methylamino)acetaldehyde (PubChem CID 116954131) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(methylamino)acetaldehyde.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(methylamino)acetaldehyde
PubChem CID116954131
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name2-(4-bromophenyl)-2-(methylamino)acetaldehyde
SMILESCNC(C=O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO/c1-11-9(6-12)7-2-4-8(10)5-3-7/h2-6,9,11H,1H3
InChIKeyOAIGEEYWIHFSOG-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-methoxyphenyl)-2-(methylamino)acetaldehyde
CID 135349106
2-(methylamino)-2-(4-phenylphenyl)acetaldehyde
CID 116954169
(2R)-2-(4-bromophenyl)propanal
CID 39243198
2-amino-3-(4-bromophenyl)-3-(methylamino)propanoic acid
CID 116957325
2-(4-bromophenyl)propanal;ethane-1,2-diol
CID 175448284
1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481044
2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde
CID 116954226
N-[1-(4-bromophenyl)propyl]formamide
CID 64990442
3-amino-2-(4-bromophenyl)propanal
CID 143606915
2-(4-bromophenyl)-N,4-dimethylpentan-3-amine
CID 79298620
2-(methylamino)-2-(2-methyl-1,3-benzoxazol-5-yl)acetaldehyde
CID 116954230
2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde
CID 116954228

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(methylamino)acetaldehyde?
The IUPAC name of 2-(4-bromophenyl)-2-(methylamino)acetaldehyde (CID 116954131) is 2-(4-bromophenyl)-2-(methylamino)acetaldehyde.
What is the SMILES notation for 2-(4-bromophenyl)-2-(methylamino)acetaldehyde?
The canonical SMILES for 2-(4-bromophenyl)-2-(methylamino)acetaldehyde is CNC(C=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(methylamino)acetaldehyde?
The InChIKey is OAIGEEYWIHFSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-11-9(6-12)7-2-4-8(10)5-3-7/h2-6,9,11H,1H3.
What are the key properties of 2-(4-bromophenyl)-2-(methylamino)acetaldehyde?
2-(4-bromophenyl)-2-(methylamino)acetaldehyde has a molecular weight of 228.09 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(methylamino)acetaldehyde is sourced from PubChem (CID 116954131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).