2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde

C9H10BrNO — CID 116939092

IUPAC2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde
SMILESCc1ccc(Br)cc1C(N)C=O
InChIInChI=1S/C9H10BrNO/c1-6-2-3-7(10)4-8(6)9(11)5-12/h2-5,9H,11H2,1H3
InChIKeyFUSRLJAFFVDPGM-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.96
Rot. Bonds2

About 2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde

2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde (PubChem CID 116939092) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde
PubChem CID116939092
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde
SMILESCc1ccc(Br)cc1C(N)C=O
InChIInChI=1S/C9H10BrNO/c1-6-2-3-7(10)4-8(6)9(11)5-12/h2-5,9H,11H2,1H3
InChIKeyFUSRLJAFFVDPGM-UHFFFAOYSA-N
XLogP1.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.96
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-amino-2-(2,5-dimethylphenyl)acetaldehyde
CID 116938991
(1R)-1-(5-bromo-2-methylphenyl)prop-2-en-1-amine;hydrochloride
CID 171203845
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine
CID 96840213
(1R)-1-(5-bromo-2-methylphenyl)propan-1-amine;hydrochloride
CID 171203844
4-amino-4-(5-bromo-2-methylphenyl)butan-2-one
CID 116940603
methyl 2-amino-2-(5-bromo-2-methylphenyl)acetate
CID 116856962
(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171223427
2-(5-bromo-2-methylphenyl)-3-methylbutanenitrile
CID 116964665
5-amino-5-(5-bromo-2-methylphenyl)pentan-2-one
CID 116940760
2-[amino-(5-bromo-2-methylphenyl)methyl]-3-methylbutanenitrile
CID 116946388
4-bromo-2-(1-oxopropan-2-yl)benzaldehyde
CID 134640143

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde?
The IUPAC name of 2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde (CID 116939092) is 2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde.
What is the SMILES notation for 2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde?
The canonical SMILES for 2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde is Cc1ccc(Br)cc1C(N)C=O.
What is the InChIKey of 2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde?
The InChIKey is FUSRLJAFFVDPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-6-2-3-7(10)4-8(6)9(11)5-12/h2-5,9H,11H2,1H3.
What are the key properties of 2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde?
2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde has a molecular weight of 228.09 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromo-2-methylphenyl)acetaldehyde is sourced from PubChem (CID 116939092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).