2-amino-2-(2,5-dimethylphenyl)acetaldehyde

C10H13NO — CID 116938991

IUPAC2-amino-2-(2,5-dimethylphenyl)acetaldehyde
SMILESCc1ccc(C)c(C(N)C=O)c1
InChIInChI=1S/C10H13NO/c1-7-3-4-8(2)9(5-7)10(11)6-12/h3-6,10H,11H2,1-2H3
InChIKeyOIZKUPYTUJBICR-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.50
Rot. Bonds2

About 2-amino-2-(2,5-dimethylphenyl)acetaldehyde

2-amino-2-(2,5-dimethylphenyl)acetaldehyde (PubChem CID 116938991) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-amino-2-(2,5-dimethylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-amino-2-(2,5-dimethylphenyl)acetaldehyde
PubChem CID116938991
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-amino-2-(2,5-dimethylphenyl)acetaldehyde
SMILESCc1ccc(C)c(C(N)C=O)c1
InChIInChI=1S/C10H13NO/c1-7-3-4-8(2)9(5-7)10(11)6-12/h3-6,10H,11H2,1-2H3
InChIKeyOIZKUPYTUJBICR-UHFFFAOYSA-N
XLogP1.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.50
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-(5-bromo-2-methylphenyl)acetaldehyde
CID 116939092
2-(2,5-dimethylphenyl)-3-oxopropanoic acid
CID 22600118
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
bromo-(2,5-dimethylphenyl)methanamine
CID 116947555
1-(2,5-dimethylphenyl)-2-propan-2-ylsulfonylethanamine
CID 64676399
2-amino-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 116939016
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
1-(2,5-dimethylphenyl)butane-1,3-diamine
CID 116933200
1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 175668922
ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate
CID 79366785
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,5-dimethylphenyl)acetaldehyde?
The IUPAC name of 2-amino-2-(2,5-dimethylphenyl)acetaldehyde (CID 116938991) is 2-amino-2-(2,5-dimethylphenyl)acetaldehyde.
What is the SMILES notation for 2-amino-2-(2,5-dimethylphenyl)acetaldehyde?
The canonical SMILES for 2-amino-2-(2,5-dimethylphenyl)acetaldehyde is Cc1ccc(C)c(C(N)C=O)c1.
What is the InChIKey of 2-amino-2-(2,5-dimethylphenyl)acetaldehyde?
The InChIKey is OIZKUPYTUJBICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-3-4-8(2)9(5-7)10(11)6-12/h3-6,10H,11H2,1-2H3.
What are the key properties of 2-amino-2-(2,5-dimethylphenyl)acetaldehyde?
2-amino-2-(2,5-dimethylphenyl)acetaldehyde has a molecular weight of 163.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,5-dimethylphenyl)acetaldehyde is sourced from PubChem (CID 116938991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).