2-(N,2,3,4-tetramethylanilino)acetaldehyde

C12H17NO — CID 115222854

IUPAC2-(N,2,3,4-tetramethylanilino)acetaldehyde
SMILESCc1ccc(N(C)CC=O)c(C)c1C
InChIInChI=1S/C12H17NO/c1-9-5-6-12(11(3)10(9)2)13(4)7-8-14/h5-6,8H,7H2,1-4H3
InChIKeyRLHLYCMMOYIFEH-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.25
Rot. Bonds3

About 2-(N,2,3,4-tetramethylanilino)acetaldehyde

2-(N,2,3,4-tetramethylanilino)acetaldehyde (PubChem CID 115222854) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(N,2,3,4-tetramethylanilino)acetaldehyde.

Molecular Properties

Compound Name2-(N,2,3,4-tetramethylanilino)acetaldehyde
PubChem CID115222854
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(N,2,3,4-tetramethylanilino)acetaldehyde
SMILESCc1ccc(N(C)CC=O)c(C)c1C
InChIInChI=1S/C12H17NO/c1-9-5-6-12(11(3)10(9)2)13(4)7-8-14/h5-6,8H,7H2,1-4H3
InChIKeyRLHLYCMMOYIFEH-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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

(E)-4-(N,2,3,4-tetramethylanilino)but-2-enoic acid
CID 115237061
N-cyclopropyl-N'-methyl-N'-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 115206920
3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile
CID 115254418
methyl 3-(N,2,3,4-tetramethylanilino)propanoate
CID 115232358
3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanoic acid
CID 115250292
2-(2-methoxy-N-methyl-4-propan-2-ylanilino)acetaldehyde
CID 115222785
ethyl-(2,3,4-trimethylphenyl)carbamic acid
CID 57360531
N,2,3,5,6-pentamethyl-N-(2,3,4-trimethylphenyl)aniline
CID 163804282
2,2,2-trifluoro-N-methyl-N-(2,3,4-trimethylphenyl)acetamide
CID 115190221
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide
CID 115154948
2-(4-tert-butyl-N-methylanilino)acetaldehyde
CID 115222720

Frequently Asked Questions

What is the IUPAC name of 2-(N,2,3,4-tetramethylanilino)acetaldehyde?
The IUPAC name of 2-(N,2,3,4-tetramethylanilino)acetaldehyde (CID 115222854) is 2-(N,2,3,4-tetramethylanilino)acetaldehyde.
What is the SMILES notation for 2-(N,2,3,4-tetramethylanilino)acetaldehyde?
The canonical SMILES for 2-(N,2,3,4-tetramethylanilino)acetaldehyde is Cc1ccc(N(C)CC=O)c(C)c1C.
What is the InChIKey of 2-(N,2,3,4-tetramethylanilino)acetaldehyde?
The InChIKey is RLHLYCMMOYIFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-5-6-12(11(3)10(9)2)13(4)7-8-14/h5-6,8H,7H2,1-4H3.
What are the key properties of 2-(N,2,3,4-tetramethylanilino)acetaldehyde?
2-(N,2,3,4-tetramethylanilino)acetaldehyde has a molecular weight of 191.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,2,3,4-tetramethylanilino)acetaldehyde is sourced from PubChem (CID 115222854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).