3-[(N-methylanilino)methyl]benzaldehyde

C15H15NO — CID 122476125

IUPAC3-[(N-methylanilino)methyl]benzaldehyde
SMILESCN(Cc1cccc(C=O)c1)c1ccccc1
InChIInChI=1S/C15H15NO/c1-16(15-8-3-2-4-9-15)11-13-6-5-7-14(10-13)12-17/h2-10,12H,11H2,1H3
InChIKeyCXGHOGRZUJZFOB-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.14
Rot. Bonds4

About 3-[(N-methylanilino)methyl]benzaldehyde

3-[(N-methylanilino)methyl]benzaldehyde (PubChem CID 122476125) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[(N-methylanilino)methyl]benzaldehyde.

Molecular Properties

Compound Name3-[(N-methylanilino)methyl]benzaldehyde
PubChem CID122476125
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-[(N-methylanilino)methyl]benzaldehyde
SMILESCN(Cc1cccc(C=O)c1)c1ccccc1
InChIInChI=1S/C15H15NO/c1-16(15-8-3-2-4-9-15)11-13-6-5-7-14(10-13)12-17/h2-10,12H,11H2,1H3
InChIKeyCXGHOGRZUJZFOB-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
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 3-[(N-methylanilino)methyl]benzaldehyde?
The IUPAC name of 3-[(N-methylanilino)methyl]benzaldehyde (CID 122476125) is 3-[(N-methylanilino)methyl]benzaldehyde.
What is the SMILES notation for 3-[(N-methylanilino)methyl]benzaldehyde?
The canonical SMILES for 3-[(N-methylanilino)methyl]benzaldehyde is CN(Cc1cccc(C=O)c1)c1ccccc1.
What is the InChIKey of 3-[(N-methylanilino)methyl]benzaldehyde?
The InChIKey is CXGHOGRZUJZFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-16(15-8-3-2-4-9-15)11-13-6-5-7-14(10-13)12-17/h2-10,12H,11H2,1H3.
What are the key properties of 3-[(N-methylanilino)methyl]benzaldehyde?
3-[(N-methylanilino)methyl]benzaldehyde has a molecular weight of 225.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-methylanilino)methyl]benzaldehyde is sourced from PubChem (CID 122476125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).