2,2-bis[4-(dimethylamino)phenyl]acetaldehyde

C18H22N2O — CID 54292070

IUPAC2,2-bis[4-(dimethylamino)phenyl]acetaldehyde
SMILESCN(C)c1ccc(C(C=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-19(2)16-9-5-14(6-10-16)18(13-21)15-7-11-17(12-8-15)20(3)4/h5-13,18H,1-4H3
InChIKeyCAKQMTBNPPNOGH-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.15
Rot. Bonds5

About 2,2-bis[4-(dimethylamino)phenyl]acetaldehyde

2,2-bis[4-(dimethylamino)phenyl]acetaldehyde (PubChem CID 54292070) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2,2-bis[4-(dimethylamino)phenyl]acetaldehyde.

Molecular Properties

Compound Name2,2-bis[4-(dimethylamino)phenyl]acetaldehyde
PubChem CID54292070
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2,2-bis[4-(dimethylamino)phenyl]acetaldehyde
SMILESCN(C)c1ccc(C(C=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-19(2)16-9-5-14(6-10-16)18(13-21)15-7-11-17(12-8-15)20(3)4/h5-13,18H,1-4H3
InChIKeyCAKQMTBNPPNOGH-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[bis[4-(dimethylamino)phenyl]methyl]-3-methylbutanal
CID 139251026
2,2-bis(4-methylphenyl)acetaldehyde
CID 10867935
(2R)-2-[bis[4-(dimethylamino)phenyl]methyl]-4-methylpent-3-enal
CID 102265565
2,2-bis(4-tert-butylphenyl)acetaldehyde
CID 19958795
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
CID 101124306
(2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid
CID 7022656
2,4-bis[4-(dimethylamino)phenyl]-1,1,5,5-tetrahydroxypentan-3-one
CID 174873775
2-bromo-2-[4-(dimethylamino)phenyl]acetic acid
CID 20558335
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
bis[4-(dimethylamino)phenyl]methylazanium chloride
CID 146471304
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[4-(dimethylamino)phenyl]acetaldehyde?
The IUPAC name of 2,2-bis[4-(dimethylamino)phenyl]acetaldehyde (CID 54292070) is 2,2-bis[4-(dimethylamino)phenyl]acetaldehyde.
What is the SMILES notation for 2,2-bis[4-(dimethylamino)phenyl]acetaldehyde?
The canonical SMILES for 2,2-bis[4-(dimethylamino)phenyl]acetaldehyde is CN(C)c1ccc(C(C=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 2,2-bis[4-(dimethylamino)phenyl]acetaldehyde?
The InChIKey is CAKQMTBNPPNOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-19(2)16-9-5-14(6-10-16)18(13-21)15-7-11-17(12-8-15)20(3)4/h5-13,18H,1-4H3.
What are the key properties of 2,2-bis[4-(dimethylamino)phenyl]acetaldehyde?
2,2-bis[4-(dimethylamino)phenyl]acetaldehyde has a molecular weight of 282.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[4-(dimethylamino)phenyl]acetaldehyde is sourced from PubChem (CID 54292070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).