3-amino-2-(4-bromophenyl)propanal

C9H10BrNO — CID 143606915

IUPAC3-amino-2-(4-bromophenyl)propanal
SMILESNCC(C=O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,6,8H,5,11H2
InChIKeyFYCZNGXUVZEBRP-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.69
Rot. Bonds3

About 3-amino-2-(4-bromophenyl)propanal

3-amino-2-(4-bromophenyl)propanal (PubChem CID 143606915) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 3-amino-2-(4-bromophenyl)propanal.

Molecular Properties

Compound Name3-amino-2-(4-bromophenyl)propanal
PubChem CID143606915
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name3-amino-2-(4-bromophenyl)propanal
SMILESNCC(C=O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,6,8H,5,11H2
InChIKeyFYCZNGXUVZEBRP-UHFFFAOYSA-N
XLogP1.69
TPSA43.09 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 ≤ 51.69
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

2-(4-bromophenyl)-3-pyridin-2-ylpropanal
CID 174426840
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380
(2R)-2-(4-bromophenyl)propanal
CID 39243198
2-(4-bromophenyl)propanal;ethane-1,2-diol
CID 175448284
3-(4-bromophenyl)-3-chloropropanal
CID 87667341
2-(4-bromophenyl)-2-(methylamino)acetaldehyde
CID 116954131
2-(4-bromophenoxy)-2-(4-bromophenyl)ethanamine
CID 55016034
(4-bromophenyl)methanediamine
CID 68740698
4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol
CID 83693483
2-(4-bromophenyl)-2-isocyanatoacetaldehyde
CID 174903715
2-(4-bromo-2-fluorophenyl)butanal
CID 130820553
[(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate
CID 142806697

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-bromophenyl)propanal?
The IUPAC name of 3-amino-2-(4-bromophenyl)propanal (CID 143606915) is 3-amino-2-(4-bromophenyl)propanal.
What is the SMILES notation for 3-amino-2-(4-bromophenyl)propanal?
The canonical SMILES for 3-amino-2-(4-bromophenyl)propanal is NCC(C=O)c1ccc(Br)cc1.
What is the InChIKey of 3-amino-2-(4-bromophenyl)propanal?
The InChIKey is FYCZNGXUVZEBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,6,8H,5,11H2.
What are the key properties of 3-amino-2-(4-bromophenyl)propanal?
3-amino-2-(4-bromophenyl)propanal has a molecular weight of 228.09 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-bromophenyl)propanal is sourced from PubChem (CID 143606915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).