2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde

C13H19NO2 — CID 115223198

IUPAC2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde
SMILESCOc1cc(C)c(C)cc1CCNCC=O
InChIInChI=1S/C13H19NO2/c1-10-8-12(4-5-14-6-7-15)13(16-3)9-11(10)2/h7-9,14H,4-6H2,1-3H3
InChIKeyATOXJRYZNOFKON-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.64
Rot. Bonds6

About 2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde

2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde (PubChem CID 115223198) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde.

Molecular Properties

Compound Name2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde
PubChem CID115223198
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde
SMILESCOc1cc(C)c(C)cc1CCNCC=O
InChIInChI=1S/C13H19NO2/c1-10-8-12(4-5-14-6-7-15)13(16-3)9-11(10)2/h7-9,14H,4-6H2,1-3H3
InChIKeyATOXJRYZNOFKON-UHFFFAOYSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,5-difluoro-4-methoxyphenyl)ethylamino]acetaldehyde
CID 115223282
2-(2,5-dimethoxy-4-methylphenyl)-N-ethylethanamine
CID 98783839
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106
4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid
CID 115218709
[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol
CID 115229328
1-(2-chloroethyl)-2-methoxy-4,5-dimethylbenzene
CID 82469330
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide
CID 110788053
N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine
CID 115206014
2-[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]ethanethiol
CID 115224241
3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propane-1,2-diol
CID 115122296
2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol
CID 115120814
2-(2-methoxy-4,5-dimethylanilino)acetaldehyde
CID 115222617

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde?
The IUPAC name of 2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde (CID 115223198) is 2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde.
What is the SMILES notation for 2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde?
The canonical SMILES for 2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde is COc1cc(C)c(C)cc1CCNCC=O.
What is the InChIKey of 2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde?
The InChIKey is ATOXJRYZNOFKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-8-12(4-5-14-6-7-15)13(16-3)9-11(10)2/h7-9,14H,4-6H2,1-3H3.
What are the key properties of 2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde?
2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde has a molecular weight of 221.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]acetaldehyde is sourced from PubChem (CID 115223198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).