4-[(4-methylphenyl)methylamino]benzaldehyde

C15H15NO — CID 89270360

IUPAC4-[(4-methylphenyl)methylamino]benzaldehyde
SMILESCc1ccc(CNc2ccc(C=O)cc2)cc1
InChIInChI=1S/C15H15NO/c1-12-2-4-13(5-3-12)10-16-15-8-6-14(11-17)7-9-15/h2-9,11,16H,10H2,1H3
InChIKeyPOBPWQJRWCYXGM-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.42
Rot. Bonds4

About 4-[(4-methylphenyl)methylamino]benzaldehyde

4-[(4-methylphenyl)methylamino]benzaldehyde (PubChem CID 89270360) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methylamino]benzaldehyde.

Molecular Properties

Compound Name4-[(4-methylphenyl)methylamino]benzaldehyde
PubChem CID89270360
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name4-[(4-methylphenyl)methylamino]benzaldehyde
SMILESCc1ccc(CNc2ccc(C=O)cc2)cc1
InChIInChI=1S/C15H15NO/c1-12-2-4-13(5-3-12)10-16-15-8-6-14(11-17)7-9-15/h2-9,11,16H,10H2,1H3
InChIKeyPOBPWQJRWCYXGM-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methylamino]benzaldehyde?
The IUPAC name of 4-[(4-methylphenyl)methylamino]benzaldehyde (CID 89270360) is 4-[(4-methylphenyl)methylamino]benzaldehyde.
What is the SMILES notation for 4-[(4-methylphenyl)methylamino]benzaldehyde?
The canonical SMILES for 4-[(4-methylphenyl)methylamino]benzaldehyde is Cc1ccc(CNc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methylamino]benzaldehyde?
The InChIKey is POBPWQJRWCYXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-12-2-4-13(5-3-12)10-16-15-8-6-14(11-17)7-9-15/h2-9,11,16H,10H2,1H3.
What are the key properties of 4-[(4-methylphenyl)methylamino]benzaldehyde?
4-[(4-methylphenyl)methylamino]benzaldehyde has a molecular weight of 225.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methylamino]benzaldehyde is sourced from PubChem (CID 89270360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).