4-(dibenzylamino)-2,6-dimethylbenzaldehyde

C23H23NO — CID 86163610

IUPAC4-(dibenzylamino)-2,6-dimethylbenzaldehyde
SMILESCc1cc(N(Cc2ccccc2)Cc2ccccc2)cc(C)c1C=O
InChIInChI=1S/C23H23NO/c1-18-13-22(14-19(2)23(18)17-25)24(15-20-9-5-3-6-10-20)16-21-11-7-4-8-12-21/h3-14,17H,15-16H2,1-2H3
InChIKeyFPVOFQXSYRKLRM-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.32
Rot. Bonds6

About 4-(dibenzylamino)-2,6-dimethylbenzaldehyde

4-(dibenzylamino)-2,6-dimethylbenzaldehyde (PubChem CID 86163610) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-(dibenzylamino)-2,6-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-(dibenzylamino)-2,6-dimethylbenzaldehyde
PubChem CID86163610
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name4-(dibenzylamino)-2,6-dimethylbenzaldehyde
SMILESCc1cc(N(Cc2ccccc2)Cc2ccccc2)cc(C)c1C=O
InChIInChI=1S/C23H23NO/c1-18-13-22(14-19(2)23(18)17-25)24(15-20-9-5-3-6-10-20)16-21-11-7-4-8-12-21/h3-14,17H,15-16H2,1-2H3
InChIKeyFPVOFQXSYRKLRM-UHFFFAOYSA-N
XLogP5.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[benzyl(bromo)amino]-2,6-dimethylbenzaldehyde
CID 166904568
N,N-dibenzylaniline
CID 139071697
N,N-dibenzyl-3,5-dinitroaniline
CID 7237184
2-[[4-(dibenzylamino)-2,6-difluorophenyl]methylidene]butanoic acid
CID 68720645
3-[benzyl(ethyl)amino]benzaldehyde
CID 84758568
N,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline
CID 18716633
[3-(dibenzylamino)-5-methylphenyl] prop-2-enoate
CID 58984002
N,N-dibenzyl-4-[[4-(dibenzylamino)-2-(trifluoromethyl)phenyl]methyl]-3-methylaniline
CID 139990550
2,6-dimethyl-4-(2-methylphenyl)benzaldehyde
CID 172876936
3-[benzyl(ethyl)amino]-5-methylbenzenesulfonic acid
CID 101317585
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62135526
5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 62115998

Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylamino)-2,6-dimethylbenzaldehyde?
The IUPAC name of 4-(dibenzylamino)-2,6-dimethylbenzaldehyde (CID 86163610) is 4-(dibenzylamino)-2,6-dimethylbenzaldehyde.
What is the SMILES notation for 4-(dibenzylamino)-2,6-dimethylbenzaldehyde?
The canonical SMILES for 4-(dibenzylamino)-2,6-dimethylbenzaldehyde is Cc1cc(N(Cc2ccccc2)Cc2ccccc2)cc(C)c1C=O.
What is the InChIKey of 4-(dibenzylamino)-2,6-dimethylbenzaldehyde?
The InChIKey is FPVOFQXSYRKLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-18-13-22(14-19(2)23(18)17-25)24(15-20-9-5-3-6-10-20)16-21-11-7-4-8-12-21/h3-14,17H,15-16H2,1-2H3.
What are the key properties of 4-(dibenzylamino)-2,6-dimethylbenzaldehyde?
4-(dibenzylamino)-2,6-dimethylbenzaldehyde has a molecular weight of 329.44 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylamino)-2,6-dimethylbenzaldehyde is sourced from PubChem (CID 86163610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).