3-(4-amino-2,6-dimethylphenyl)benzaldehyde

C15H15NO — CID 143071394

IUPAC3-(4-amino-2,6-dimethylphenyl)benzaldehyde
SMILESCc1cc(N)cc(C)c1-c1cccc(C=O)c1
InChIInChI=1S/C15H15NO/c1-10-6-14(16)7-11(2)15(10)13-5-3-4-12(8-13)9-17/h3-9H,16H2,1-2H3
InChIKeyWKVAXYWNZYVSHN-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.37
Rot. Bonds2

About 3-(4-amino-2,6-dimethylphenyl)benzaldehyde

3-(4-amino-2,6-dimethylphenyl)benzaldehyde (PubChem CID 143071394) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(4-amino-2,6-dimethylphenyl)benzaldehyde.

Molecular Properties

Compound Name3-(4-amino-2,6-dimethylphenyl)benzaldehyde
PubChem CID143071394
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-(4-amino-2,6-dimethylphenyl)benzaldehyde
SMILESCc1cc(N)cc(C)c1-c1cccc(C=O)c1
InChIInChI=1S/C15H15NO/c1-10-6-14(16)7-11(2)15(10)13-5-3-4-12(8-13)9-17/h3-9H,16H2,1-2H3
InChIKeyWKVAXYWNZYVSHN-UHFFFAOYSA-N
XLogP3.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2,6-dimethylphenyl)benzaldehyde?
The IUPAC name of 3-(4-amino-2,6-dimethylphenyl)benzaldehyde (CID 143071394) is 3-(4-amino-2,6-dimethylphenyl)benzaldehyde.
What is the SMILES notation for 3-(4-amino-2,6-dimethylphenyl)benzaldehyde?
The canonical SMILES for 3-(4-amino-2,6-dimethylphenyl)benzaldehyde is Cc1cc(N)cc(C)c1-c1cccc(C=O)c1.
What is the InChIKey of 3-(4-amino-2,6-dimethylphenyl)benzaldehyde?
The InChIKey is WKVAXYWNZYVSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-10-6-14(16)7-11(2)15(10)13-5-3-4-12(8-13)9-17/h3-9H,16H2,1-2H3.
What are the key properties of 3-(4-amino-2,6-dimethylphenyl)benzaldehyde?
3-(4-amino-2,6-dimethylphenyl)benzaldehyde has a molecular weight of 225.29 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2,6-dimethylphenyl)benzaldehyde is sourced from PubChem (CID 143071394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).