2-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde

C17H19NO — CID 138645682

IUPAC2-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde
SMILESCc1ccc(-c2ccc(CC=O)c(N(C)C)c2)cc1
InChIInChI=1S/C17H19NO/c1-13-4-6-14(7-5-13)16-9-8-15(10-11-19)17(12-16)18(2)3/h4-9,11-12H,10H2,1-3H3
InChIKeyQYUBDAWUENJDPM-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.47
Rot. Bonds4

About 2-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde

2-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde (PubChem CID 138645682) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde
PubChem CID138645682
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde
SMILESCc1ccc(-c2ccc(CC=O)c(N(C)C)c2)cc1
InChIInChI=1S/C17H19NO/c1-13-4-6-14(7-5-13)16-9-8-15(10-11-19)17(12-16)18(2)3/h4-9,11-12H,10H2,1-3H3
InChIKeyQYUBDAWUENJDPM-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.47
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-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde?
The IUPAC name of 2-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde (CID 138645682) is 2-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde is Cc1ccc(-c2ccc(CC=O)c(N(C)C)c2)cc1.
What is the InChIKey of 2-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde?
The InChIKey is QYUBDAWUENJDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-4-6-14(7-5-13)16-9-8-15(10-11-19)17(12-16)18(2)3/h4-9,11-12H,10H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde?
2-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde has a molecular weight of 253.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4-(4-methylphenyl)phenyl]acetaldehyde is sourced from PubChem (CID 138645682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).