2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde

C13H19NO — CID 115223050

IUPAC2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde
SMILESCc1cc(C)c(CN(C)CC=O)c(C)c1
InChIInChI=1S/C13H19NO/c1-10-7-11(2)13(12(3)8-10)9-14(4)5-6-15/h6-8H,5,9H2,1-4H3
InChIKeyYIBLHZCNMXSGIX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.24
Rot. Bonds4

About 2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde

2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde (PubChem CID 115223050) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde
PubChem CID115223050
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde
SMILESCc1cc(C)c(CN(C)CC=O)c(C)c1
InChIInChI=1S/C13H19NO/c1-10-7-11(2)13(12(3)8-10)9-14(4)5-6-15/h6-8H,5,9H2,1-4H3
InChIKeyYIBLHZCNMXSGIX-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
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

N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 62543775
4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol
CID 115217664
N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 55085307
2-(2-chloroethoxy)-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 114242589
2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid
CID 115136607
N-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 55085534
ethane;2-[methyl-[[4-methyl-2-(methylamino)phenyl]methyl]amino]acetaldehyde
CID 169136376
2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol
CID 115250899
2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 115190292
4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol
CID 115149528
N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-chloro-N-methylethanamine
CID 115214949
N-(5-methyl-2-pyridinyl)-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetamide
CID 86885989

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde?
The IUPAC name of 2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde (CID 115223050) is 2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde.
What is the SMILES notation for 2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde?
The canonical SMILES for 2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde is Cc1cc(C)c(CN(C)CC=O)c(C)c1.
What is the InChIKey of 2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde?
The InChIKey is YIBLHZCNMXSGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-7-11(2)13(12(3)8-10)9-14(4)5-6-15/h6-8H,5,9H2,1-4H3.
What are the key properties of 2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde?
2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde has a molecular weight of 205.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde is sourced from PubChem (CID 115223050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).