2-(2-methoxyethoxy)acetaldehyde;N-methylaniline

C12H19NO3 — CID 142275920

IUPAC2-(2-methoxyethoxy)acetaldehyde;N-methylaniline
SMILESCNc1ccccc1.COCCOCC=O
InChIInChI=1S/C7H9N.C5H10O3/c1-8-7-5-3-2-4-6-7;1-7-4-5-8-3-2-6/h2-6,8H,1H3;2H,3-5H2,1H3
InChIKeyADRNSWMXAASLEG-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.58
Rot. Bonds6

About 2-(2-methoxyethoxy)acetaldehyde;N-methylaniline

2-(2-methoxyethoxy)acetaldehyde;N-methylaniline (PubChem CID 142275920) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)acetaldehyde;N-methylaniline.

Molecular Properties

Compound Name2-(2-methoxyethoxy)acetaldehyde;N-methylaniline
PubChem CID142275920
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(2-methoxyethoxy)acetaldehyde;N-methylaniline
SMILESCNc1ccccc1.COCCOCC=O
InChIInChI=1S/C7H9N.C5H10O3/c1-8-7-5-3-2-4-6-7;1-7-4-5-8-3-2-6/h2-6,8H,1H3;2H,3-5H2,1H3
InChIKeyADRNSWMXAASLEG-UHFFFAOYSA-N
XLogP1.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyethoxy)ethoxy]acetaldehyde
CID 10607071
2-[2-(3-methoxypropoxy)ethoxy]acetaldehyde
CID 103178884
CID 157283458
CID 157283458
[2-methoxyethoxymethyl(phenyl)phosphoryl]benzene
CID 4116161
magnesium;N-methylaniline;bromide
CID 173157225
potassium;hydride;N-methylaniline
CID 174147350
2-[3-(2-methoxyethoxy)propylamino]-N-phenylacetamide
CID 103605722
2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]acetaldehyde
CID 86256206
benzene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 19879698
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
N-methylaniline;N-prop-2-enylprop-2-en-1-amine
CID 23221751
4-(2-methoxyethoxy)-N-phenylaniline
CID 54357885

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)acetaldehyde;N-methylaniline?
The IUPAC name of 2-(2-methoxyethoxy)acetaldehyde;N-methylaniline (CID 142275920) is 2-(2-methoxyethoxy)acetaldehyde;N-methylaniline.
What is the SMILES notation for 2-(2-methoxyethoxy)acetaldehyde;N-methylaniline?
The canonical SMILES for 2-(2-methoxyethoxy)acetaldehyde;N-methylaniline is CNc1ccccc1.COCCOCC=O.
What is the InChIKey of 2-(2-methoxyethoxy)acetaldehyde;N-methylaniline?
The InChIKey is ADRNSWMXAASLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C5H10O3/c1-8-7-5-3-2-4-6-7;1-7-4-5-8-3-2-6/h2-6,8H,1H3;2H,3-5H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)acetaldehyde;N-methylaniline?
2-(2-methoxyethoxy)acetaldehyde;N-methylaniline has a molecular weight of 225.29 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)acetaldehyde;N-methylaniline is sourced from PubChem (CID 142275920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).