3-[2-(dimethylamino)phenyl]benzaldehyde

C15H15NO — CID 82107320

IUPAC3-[2-(dimethylamino)phenyl]benzaldehyde
SMILESCN(C)c1ccccc1-c1cccc(C=O)c1
InChIInChI=1S/C15H15NO/c1-16(2)15-9-4-3-8-14(15)13-7-5-6-12(10-13)11-17/h3-11H,1-2H3
InChIKeyXQYVFRRCMSQZNI-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.23
Rot. Bonds3

About 3-[2-(dimethylamino)phenyl]benzaldehyde

3-[2-(dimethylamino)phenyl]benzaldehyde (PubChem CID 82107320) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[2-(dimethylamino)phenyl]benzaldehyde.

Molecular Properties

Compound Name3-[2-(dimethylamino)phenyl]benzaldehyde
PubChem CID82107320
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-[2-(dimethylamino)phenyl]benzaldehyde
SMILESCN(C)c1ccccc1-c1cccc(C=O)c1
InChIInChI=1S/C15H15NO/c1-16(2)15-9-4-3-8-14(15)13-7-5-6-12(10-13)11-17/h3-11H,1-2H3
InChIKeyXQYVFRRCMSQZNI-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.23
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-[2-(dimethylamino)phenyl]benzaldehyde?
The IUPAC name of 3-[2-(dimethylamino)phenyl]benzaldehyde (CID 82107320) is 3-[2-(dimethylamino)phenyl]benzaldehyde.
What is the SMILES notation for 3-[2-(dimethylamino)phenyl]benzaldehyde?
The canonical SMILES for 3-[2-(dimethylamino)phenyl]benzaldehyde is CN(C)c1ccccc1-c1cccc(C=O)c1.
What is the InChIKey of 3-[2-(dimethylamino)phenyl]benzaldehyde?
The InChIKey is XQYVFRRCMSQZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-16(2)15-9-4-3-8-14(15)13-7-5-6-12(10-13)11-17/h3-11H,1-2H3.
What are the key properties of 3-[2-(dimethylamino)phenyl]benzaldehyde?
3-[2-(dimethylamino)phenyl]benzaldehyde has a molecular weight of 225.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)phenyl]benzaldehyde is sourced from PubChem (CID 82107320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).