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

C14H21NO2 — CID 115223365

IUPAC2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde
SMILESCOc1cc(C)c(CCN(C)CC=O)cc1C
InChIInChI=1S/C14H21NO2/c1-11-10-14(17-4)12(2)9-13(11)5-6-15(3)7-8-16/h8-10H,5-7H2,1-4H3
InChIKeyPIKKDQWQUWUMNC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.99
Rot. Bonds6

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

2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde (PubChem CID 115223365) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde.

Molecular Properties

Compound Name2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde
PubChem CID115223365
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde
SMILESCOc1cc(C)c(CCN(C)CC=O)cc1C
InChIInChI=1S/C14H21NO2/c1-11-10-14(17-4)12(2)9-13(11)5-6-15(3)7-8-16/h8-10H,5-7H2,1-4H3
InChIKeyPIKKDQWQUWUMNC-UHFFFAOYSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-(2,4,5-trimethylphenyl)ethyl]amino]acetaldehyde
CID 115223399
2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]acetaldehyde
CID 115223336
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetamide
CID 115260223
2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylcarbamothioic S-acid
CID 115170407
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129695
2-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]ethanethiol
CID 115224385
N-ethyl-N'-[(4-methoxy-2,5-dimethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205904
1-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]propan-2-one
CID 115235176
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(chloromethyl)-N-methylethanamine
CID 115263511
N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
CID 115261266
N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N,N'-dimethylethane-1,2-diamine
CID 115196106
[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl-methylamino]methanethiol
CID 115228412

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde?
The IUPAC name of 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde (CID 115223365) is 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde.
What is the SMILES notation for 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde?
The canonical SMILES for 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde is COc1cc(C)c(CCN(C)CC=O)cc1C.
What is the InChIKey of 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde?
The InChIKey is PIKKDQWQUWUMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-10-14(17-4)12(2)9-13(11)5-6-15(3)7-8-16/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde?
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde has a molecular weight of 235.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetaldehyde is sourced from PubChem (CID 115223365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).