2-[4-(dimethylamino)phenyl]-2-methylbutanal

C13H19NO — CID 24822543

IUPAC2-[4-(dimethylamino)phenyl]-2-methylbutanal
SMILESCCC(C)(C=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H19NO/c1-5-13(2,10-15)11-6-8-12(9-7-11)14(3)4/h6-10H,5H2,1-4H3
InChIKeyGLSZOKBXZZIVQF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.62
Rot. Bonds4

About 2-[4-(dimethylamino)phenyl]-2-methylbutanal

2-[4-(dimethylamino)phenyl]-2-methylbutanal (PubChem CID 24822543) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-2-methylbutanal.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-2-methylbutanal
PubChem CID24822543
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[4-(dimethylamino)phenyl]-2-methylbutanal
SMILESCCC(C)(C=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H19NO/c1-5-13(2,10-15)11-6-8-12(9-7-11)14(3)4/h6-10H,5H2,1-4H3
InChIKeyGLSZOKBXZZIVQF-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.62
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

2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
2-[4-(dimethylamino)phenyl]-2-methylpropanal
CID 83684941
2-methyl-3-[methyl(propyl)amino]-2-phenylpropanal
CID 62278481
2-[4-(dimethylamino)phenyl]propan-2-yl 2,2-dimethylbutanoate
CID 20813215
2-[4-(dimethylamino)phenyl]-2-ethyl-3-oxobutanoic acid
CID 70413233
2-(diethylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54880722
2-[4-(dimethylamino)phenyl]acetaldehyde
CID 15114335
4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one
CID 30469812
ethyl 3-[4-(dimethylamino)phenyl]-2-ethyl-3-hydroxybutanoate
CID 62394361
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal
CID 62278320
2-(4-tert-butyl-N-methylanilino)acetaldehyde
CID 115222720

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-2-methylbutanal?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-2-methylbutanal (CID 24822543) is 2-[4-(dimethylamino)phenyl]-2-methylbutanal.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-2-methylbutanal?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-2-methylbutanal is CCC(C)(C=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-2-methylbutanal?
The InChIKey is GLSZOKBXZZIVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-13(2,10-15)11-6-8-12(9-7-11)14(3)4/h6-10H,5H2,1-4H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-2-methylbutanal?
2-[4-(dimethylamino)phenyl]-2-methylbutanal has a molecular weight of 205.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-2-methylbutanal is sourced from PubChem (CID 24822543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).