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

C12H17NO — CID 83684941

IUPAC2-[4-(dimethylamino)phenyl]-2-methylpropanal
SMILESCN(C)c1ccc(C(C)(C)C=O)cc1
InChIInChI=1S/C12H17NO/c1-12(2,9-14)10-5-7-11(8-6-10)13(3)4/h5-9H,1-4H3
InChIKeyNERMKGLUWDBWIO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.23
Rot. Bonds3

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

2-[4-(dimethylamino)phenyl]-2-methylpropanal (PubChem CID 83684941) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-2-methylpropanal.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-2-methylpropanal
PubChem CID83684941
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[4-(dimethylamino)phenyl]-2-methylpropanal
SMILESCN(C)c1ccc(C(C)(C)C=O)cc1
InChIInChI=1S/C12H17NO/c1-12(2,9-14)10-5-7-11(8-6-10)13(3)4/h5-9H,1-4H3
InChIKeyNERMKGLUWDBWIO-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.23
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-[4-(dimethylamino)phenyl]-2-methylbutanal
CID 24822543
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
2-[4-(dimethylamino)phenyl]-2-hydroxypropanamide
CID 62226788
4-[4-(dimethylamino)phenyl]-4-methylpentan-2-one
CID 30469812
(2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294233
4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline
CID 159098824
(2R)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294234
4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline
CID 63897166
2-(3,4-dimethylphenyl)-2-methylpropanal
CID 59042198
2-[4-(dimethylamino)phenyl]acetaldehyde
CID 15114335
2-(4-tert-butyl-N-methylanilino)acetaldehyde
CID 115222720
2,2-bis[4-(dimethylamino)phenyl]acetaldehyde
CID 54292070

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-2-methylpropanal?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-2-methylpropanal (CID 83684941) is 2-[4-(dimethylamino)phenyl]-2-methylpropanal.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-2-methylpropanal?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-2-methylpropanal is CN(C)c1ccc(C(C)(C)C=O)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-2-methylpropanal?
The InChIKey is NERMKGLUWDBWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2,9-14)10-5-7-11(8-6-10)13(3)4/h5-9H,1-4H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-2-methylpropanal?
2-[4-(dimethylamino)phenyl]-2-methylpropanal has a molecular weight of 191.27 g/mol, XLogP of 2.23, 3 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-methylpropanal is sourced from PubChem (CID 83684941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).