2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde

C13H19NO — CID 116908621

IUPAC2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde
SMILESCc1cc(C)c(C(C=O)N(C)C)c(C)c1
InChIInChI=1S/C13H19NO/c1-9-6-10(2)13(11(3)7-9)12(8-15)14(4)5/h6-8,12H,1-5H3
InChIKeyQDHQEJGVLQTMDD-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.41
Rot. Bonds3

About 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde

2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde (PubChem CID 116908621) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde
PubChem CID116908621
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde
SMILESCc1cc(C)c(C(C=O)N(C)C)c(C)c1
InChIInChI=1S/C13H19NO/c1-9-6-10(2)13(11(3)7-9)12(8-15)14(4)5/h6-8,12H,1-5H3
InChIKeyQDHQEJGVLQTMDD-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.41
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-amino-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 116939016
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
N-[(1R)-1-(2,4,6-trimethylphenyl)ethyl]formamide
CID 15469540
methyl 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetate
CID 116857090
2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid
CID 82476708
1-(dimethylamino)-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-ol
CID 116911328
CID 56621266
CID 56621266
2-diphenylphosphoryl-2-(2,4,6-trimethylphenyl)acetaldehyde
CID 118481550
1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine
CID 116905573
2-(dimethylamino)-2-naphthalen-2-ylacetaldehyde
CID 116908733
(2S)-2-amino-3-(2,4,6-trimethylphenyl)propanal
CID 54309982
2-(dimethylamino)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106881116

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde?
The IUPAC name of 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde (CID 116908621) is 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde.
What is the SMILES notation for 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde?
The canonical SMILES for 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde is Cc1cc(C)c(C(C=O)N(C)C)c(C)c1.
What is the InChIKey of 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde?
The InChIKey is QDHQEJGVLQTMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-6-10(2)13(11(3)7-9)12(8-15)14(4)5/h6-8,12H,1-5H3.
What are the key properties of 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde?
2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde has a molecular weight of 205.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2,4,6-trimethylphenyl)acetaldehyde is sourced from PubChem (CID 116908621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).