4-bromo-2-(methylaminomethyl)benzaldehyde

C9H10BrNO — CID 178141211

IUPAC4-bromo-2-(methylaminomethyl)benzaldehyde
SMILESCNCc1cc(Br)ccc1C=O
InChIInChI=1S/C9H10BrNO/c1-11-5-8-4-9(10)3-2-7(8)6-12/h2-4,6,11H,5H2,1H3
InChIKeyXJEVZKWONBMJFP-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.98
Rot. Bonds3

About 4-bromo-2-(methylaminomethyl)benzaldehyde

4-bromo-2-(methylaminomethyl)benzaldehyde (PubChem CID 178141211) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 4-bromo-2-(methylaminomethyl)benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-(methylaminomethyl)benzaldehyde
PubChem CID178141211
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name4-bromo-2-(methylaminomethyl)benzaldehyde
SMILESCNCc1cc(Br)ccc1C=O
InChIInChI=1S/C9H10BrNO/c1-11-5-8-4-9(10)3-2-7(8)6-12/h2-4,6,11H,5H2,1H3
InChIKeyXJEVZKWONBMJFP-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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

5-bromo-2-(4-methylsulfanylphenoxy)benzaldehyde;1-[5-bromo-2-(4-methylsulfanylphenoxy)phenyl]-N-methylmethanamine
CID 161031207
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 155822080
4-bromo-2-(3-chloropropyl)benzaldehyde
CID 118834577
5-methyl-2-(methylaminomethyl)benzaldehyde
CID 142196530
3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine
CID 169474633
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
5-ethyl-2-(methylaminomethyl)benzaldehyde
CID 143512508
5-bromo-N,N-diethyl-2-(methylaminomethyl)aniline
CID 43280334
1-[5-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanamine
CID 114061775
2-(benzenesulfonylmethyl)-4-bromobenzaldehyde
CID 132567098
3-[5-bromo-2-(methylaminomethyl)phenyl]propan-1-ol
CID 178168952
5-bromo-N,N-dimethyl-2-(methylaminomethyl)aniline
CID 43281259

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(methylaminomethyl)benzaldehyde?
The IUPAC name of 4-bromo-2-(methylaminomethyl)benzaldehyde (CID 178141211) is 4-bromo-2-(methylaminomethyl)benzaldehyde.
What is the SMILES notation for 4-bromo-2-(methylaminomethyl)benzaldehyde?
The canonical SMILES for 4-bromo-2-(methylaminomethyl)benzaldehyde is CNCc1cc(Br)ccc1C=O.
What is the InChIKey of 4-bromo-2-(methylaminomethyl)benzaldehyde?
The InChIKey is XJEVZKWONBMJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-11-5-8-4-9(10)3-2-7(8)6-12/h2-4,6,11H,5H2,1H3.
What are the key properties of 4-bromo-2-(methylaminomethyl)benzaldehyde?
4-bromo-2-(methylaminomethyl)benzaldehyde has a molecular weight of 228.09 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(methylaminomethyl)benzaldehyde is sourced from PubChem (CID 178141211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).