4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde

C16H25NO3 — CID 82951514

IUPAC4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde
SMILESCCOCCN(CCOCC)c1ccc(C=O)c(C)c1
InChIInChI=1S/C16H25NO3/c1-4-19-10-8-17(9-11-20-5-2)16-7-6-15(13-18)14(3)12-16/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyJGCRSJLENFNWKY-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.69
Rot. Bonds10

About 4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde

4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde (PubChem CID 82951514) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde
PubChem CID82951514
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde
SMILESCCOCCN(CCOCC)c1ccc(C=O)c(C)c1
InChIInChI=1S/C16H25NO3/c1-4-19-10-8-17(9-11-20-5-2)16-7-6-15(13-18)14(3)12-16/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyJGCRSJLENFNWKY-UHFFFAOYSA-N
XLogP2.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
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

4-(dipropylamino)-2-methylbenzaldehyde
CID 14848763
2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide
CID 62134065
4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde
CID 55223236
4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde
CID 62134905
2-[4-[bis[2-(hydroxymethoxy)ethyl]amino]-N-(2-ethoxyethyl)anilino]ethoxymethanol
CID 158626212
4-[butan-2-yl(ethyl)amino]-2-methylbenzaldehyde
CID 62135587
4-(N-ethylanilino)-2-methylbenzaldehyde
CID 62135921
4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde
CID 62135933
[4-[bis(2-ethoxyethyl)amino]phenyl]methanol
CID 82951073
4-[bis(2-ethoxyethyl)amino]-2-fluorobenzonitrile
CID 82966288
1,3-benzothiazole;4-[ethyl(2-sulfanylethyl)amino]-2-methylbenzaldehyde
CID 88695216
3-[2-ethoxyethyl(ethyl)amino]benzoic acid
CID 102822991

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde?
The IUPAC name of 4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde (CID 82951514) is 4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde.
What is the SMILES notation for 4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde?
The canonical SMILES for 4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde is CCOCCN(CCOCC)c1ccc(C=O)c(C)c1.
What is the InChIKey of 4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde?
The InChIKey is JGCRSJLENFNWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-19-10-8-17(9-11-20-5-2)16-7-6-15(13-18)14(3)12-16/h6-7,12-13H,4-5,8-11H2,1-3H3.
What are the key properties of 4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde?
4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde has a molecular weight of 279.38 g/mol, XLogP of 2.69, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde is sourced from PubChem (CID 82951514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).