3-[(dimethylamino)methyl]benzaldehyde

C10H13NO — CID 14594846

IUPAC3-[(dimethylamino)methyl]benzaldehyde
SMILESCN(C)Cc1cccc(C=O)c1
InChIInChI=1S/C10H13NO/c1-11(2)7-9-4-3-5-10(6-9)8-12/h3-6,8H,7H2,1-2H3
InChIKeyFHKTUGAQZLCFTP-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.56
Rot. Bonds3

About 3-[(dimethylamino)methyl]benzaldehyde

3-[(dimethylamino)methyl]benzaldehyde (PubChem CID 14594846) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]benzaldehyde.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]benzaldehyde
PubChem CID14594846
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-[(dimethylamino)methyl]benzaldehyde
SMILESCN(C)Cc1cccc(C=O)c1
InChIInChI=1S/C10H13NO/c1-11(2)7-9-4-3-5-10(6-9)8-12/h3-6,8H,7H2,1-2H3
InChIKeyFHKTUGAQZLCFTP-UHFFFAOYSA-N
XLogP1.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.56
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-[(dimethylamino)methyl]benzaldehyde?
The IUPAC name of 3-[(dimethylamino)methyl]benzaldehyde (CID 14594846) is 3-[(dimethylamino)methyl]benzaldehyde.
What is the SMILES notation for 3-[(dimethylamino)methyl]benzaldehyde?
The canonical SMILES for 3-[(dimethylamino)methyl]benzaldehyde is CN(C)Cc1cccc(C=O)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]benzaldehyde?
The InChIKey is FHKTUGAQZLCFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-11(2)7-9-4-3-5-10(6-9)8-12/h3-6,8H,7H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]benzaldehyde?
3-[(dimethylamino)methyl]benzaldehyde has a molecular weight of 163.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]benzaldehyde is sourced from PubChem (CID 14594846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).