2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde

C14H21NO — CID 115223399

IUPAC2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde
SMILESCc1cc(C)c(CCN(C)CC=O)cc1C
InChIInChI=1S/C14H21NO/c1-11-9-13(3)14(10-12(11)2)5-6-15(4)7-8-16/h8-10H,5-7H2,1-4H3
InChIKeyBDEJSNDUMBOUPB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.29
Rot. Bonds5

About 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde

2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde (PubChem CID 115223399) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde
PubChem CID115223399
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde
SMILESCc1cc(C)c(CCN(C)CC=O)cc1C
InChIInChI=1S/C14H21NO/c1-11-9-13(3)14(10-12(11)2)5-6-15(4)7-8-16/h8-10H,5-7H2,1-4H3
InChIKeyBDEJSNDUMBOUPB-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.29
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-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde
CID 115223365
[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]methanethiol
CID 115228428
N,N'-dimethyl-N'-[2-(2,4,5-trimethylphenyl)ethyl]methanediamine
CID 115227354
2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetonitrile
CID 115131382
2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]acetaldehyde
CID 115223336
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(2,4,5-trimethylphenyl)ethanamine
CID 115244399
2-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]acetaldehyde
CID 115223440
2-[[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]methyl]butanenitrile
CID 115254132
3-amino-1-methyl-1-[2-(2,4,5-trimethylphenyl)ethyl]urea
CID 115193053
3-N-methyl-3-N-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,3-diamine
CID 117040471
4-[2-[ethyl(methyl)amino]ethyl]-2,5-dimethylphenol
CID 71290543
2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetaldehyde
CID 115223050

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde?
The IUPAC name of 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde (CID 115223399) is 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde.
What is the SMILES notation for 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde?
The canonical SMILES for 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde is Cc1cc(C)c(CCN(C)CC=O)cc1C.
What is the InChIKey of 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde?
The InChIKey is BDEJSNDUMBOUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-9-13(3)14(10-12(11)2)5-6-15(4)7-8-16/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde?
2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde has a molecular weight of 219.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde is sourced from PubChem (CID 115223399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).