2-[4-(dimethylamino)phenyl]-4-methylbenzaldehyde

C16H17NO — CID 24858824

IUPAC2-[4-(dimethylamino)phenyl]-4-methylbenzaldehyde
SMILESCc1ccc(C=O)c(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C16H17NO/c1-12-4-5-14(11-18)16(10-12)13-6-8-15(9-7-13)17(2)3/h4-11H,1-3H3
InChIKeyLFNCMNCYNZAWKR-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.54
Rot. Bonds3

About 2-[4-(dimethylamino)phenyl]-4-methylbenzaldehyde

2-[4-(dimethylamino)phenyl]-4-methylbenzaldehyde (PubChem CID 24858824) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-4-methylbenzaldehyde.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-4-methylbenzaldehyde
PubChem CID24858824
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-[4-(dimethylamino)phenyl]-4-methylbenzaldehyde
SMILESCc1ccc(C=O)c(-c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C16H17NO/c1-12-4-5-14(11-18)16(10-12)13-6-8-15(9-7-13)17(2)3/h4-11H,1-3H3
InChIKeyLFNCMNCYNZAWKR-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.54
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 2-[4-(dimethylamino)phenyl]-4-methylbenzaldehyde?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-4-methylbenzaldehyde (CID 24858824) is 2-[4-(dimethylamino)phenyl]-4-methylbenzaldehyde.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-4-methylbenzaldehyde?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-4-methylbenzaldehyde is Cc1ccc(C=O)c(-c2ccc(N(C)C)cc2)c1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-4-methylbenzaldehyde?
The InChIKey is LFNCMNCYNZAWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-4-5-14(11-18)16(10-12)13-6-8-15(9-7-13)17(2)3/h4-11H,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-4-methylbenzaldehyde?
2-[4-(dimethylamino)phenyl]-4-methylbenzaldehyde has a molecular weight of 239.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-4-methylbenzaldehyde is sourced from PubChem (CID 24858824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).