2-(diethylamino)-4-[(2-methylphenyl)-phenylmethyl]benzaldehyde

C25H27NO — CID 87636484

IUPAC2-(diethylamino)-4-[(2-methylphenyl)-phenylmethyl]benzaldehyde
SMILESCCN(CC)c1cc(C(c2ccccc2)c2ccccc2C)ccc1C=O
InChIInChI=1S/C25H27NO/c1-4-26(5-2)24-17-21(15-16-22(24)18-27)25(20-12-7-6-8-13-20)23-14-10-9-11-19(23)3/h6-18,25H,4-5H2,1-3H3
InChIKeyLPKCTUOJXMOWQL-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.83
Rot. Bonds7

About 2-(diethylamino)-4-[(2-methylphenyl)-phenylmethyl]benzaldehyde

2-(diethylamino)-4-[(2-methylphenyl)-phenylmethyl]benzaldehyde (PubChem CID 87636484) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-(diethylamino)-4-[(2-methylphenyl)-phenylmethyl]benzaldehyde.

Molecular Properties

Compound Name2-(diethylamino)-4-[(2-methylphenyl)-phenylmethyl]benzaldehyde
PubChem CID87636484
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name2-(diethylamino)-4-[(2-methylphenyl)-phenylmethyl]benzaldehyde
SMILESCCN(CC)c1cc(C(c2ccccc2)c2ccccc2C)ccc1C=O
InChIInChI=1S/C25H27NO/c1-4-26(5-2)24-17-21(15-16-22(24)18-27)25(20-12-7-6-8-13-20)23-14-10-9-11-19(23)3/h6-18,25H,4-5H2,1-3H3
InChIKeyLPKCTUOJXMOWQL-UHFFFAOYSA-N
XLogP5.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-(diethylamino)-4-[(2-methylphenyl)-phenylmethyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-[(2-methylphenyl)-phenylmethyl]benzaldehyde?
The IUPAC name of 2-(diethylamino)-4-[(2-methylphenyl)-phenylmethyl]benzaldehyde (CID 87636484) is 2-(diethylamino)-4-[(2-methylphenyl)-phenylmethyl]benzaldehyde.
What is the SMILES notation for 2-(diethylamino)-4-[(2-methylphenyl)-phenylmethyl]benzaldehyde?
The canonical SMILES for 2-(diethylamino)-4-[(2-methylphenyl)-phenylmethyl]benzaldehyde is CCN(CC)c1cc(C(c2ccccc2)c2ccccc2C)ccc1C=O.
What is the InChIKey of 2-(diethylamino)-4-[(2-methylphenyl)-phenylmethyl]benzaldehyde?
The InChIKey is LPKCTUOJXMOWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-4-26(5-2)24-17-21(15-16-22(24)18-27)25(20-12-7-6-8-13-20)23-14-10-9-11-19(23)3/h6-18,25H,4-5H2,1-3H3.
What are the key properties of 2-(diethylamino)-4-[(2-methylphenyl)-phenylmethyl]benzaldehyde?
2-(diethylamino)-4-[(2-methylphenyl)-phenylmethyl]benzaldehyde has a molecular weight of 357.50 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-[(2-methylphenyl)-phenylmethyl]benzaldehyde is sourced from PubChem (CID 87636484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).