4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde

C22H21NO2 — CID 19981020

IUPAC4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde
SMILESCN(C)c1ccc(C=O)cc1.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O.C9H11NO/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-10(2)9-5-3-8(7-11)4-6-9/h1-10H;3-7H,1-2H3
InChIKeySSYDITYVJVBGLQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.73
Rot. Bonds4

About 4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde

4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde (PubChem CID 19981020) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde.

Molecular Properties

Compound Name4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde
PubChem CID19981020
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde
SMILESCN(C)c1ccc(C=O)cc1.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O.C9H11NO/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-10(2)9-5-3-8(7-11)4-6-9/h1-10H;3-7H,1-2H3
InChIKeySSYDITYVJVBGLQ-UHFFFAOYSA-N
XLogP4.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde?
The IUPAC name of 4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde (CID 19981020) is 4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde.
What is the SMILES notation for 4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde?
The canonical SMILES for 4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde is CN(C)c1ccc(C=O)cc1.O=Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde?
The InChIKey is SSYDITYVJVBGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C9H11NO/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-10(2)9-5-3-8(7-11)4-6-9/h1-10H;3-7H,1-2H3.
What are the key properties of 4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde?
4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde has a molecular weight of 331.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde is sourced from PubChem (CID 19981020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).