3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde

C14H21NO3 — CID 84758482

IUPAC3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde
SMILESCOCCN(CCOC)Cc1cccc(C=O)c1
InChIInChI=1S/C14H21NO3/c1-17-8-6-15(7-9-18-2)11-13-4-3-5-14(10-13)12-16/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyANINYTAUMKRQOK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.59
Rot. Bonds9

About 3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde

3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde (PubChem CID 84758482) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde.

Molecular Properties

Compound Name3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde
PubChem CID84758482
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde
SMILESCOCCN(CCOC)Cc1cccc(C=O)c1
InChIInChI=1S/C14H21NO3/c1-17-8-6-15(7-9-18-2)11-13-4-3-5-14(10-13)12-16/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyANINYTAUMKRQOK-UHFFFAOYSA-N
XLogP1.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[methyl(propyl)amino]methyl]benzaldehyde
CID 20724863
methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78984035
N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 63285263
3-[[bis[(6-amino-2-pyridinyl)methyl]amino]methyl]benzaldehyde
CID 44598593
3-[(N-methylanilino)methyl]benzaldehyde
CID 122476125
3-[[ethyl(2-methoxyethyl)amino]methyl]benzoic acid
CID 55136245
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 39149176
2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide
CID 166776144
methyl 3-[[(3-formylphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoate
CID 145386535
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
methanol;methyl 3-[[(3-formylphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoate
CID 145386534

Frequently Asked Questions

What is the IUPAC name of 3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde?
The IUPAC name of 3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde (CID 84758482) is 3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde.
What is the SMILES notation for 3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde?
The canonical SMILES for 3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde is COCCN(CCOC)Cc1cccc(C=O)c1.
What is the InChIKey of 3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde?
The InChIKey is ANINYTAUMKRQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-8-6-15(7-9-18-2)11-13-4-3-5-14(10-13)12-16/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of 3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde?
3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde has a molecular weight of 251.33 g/mol, XLogP of 1.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde is sourced from PubChem (CID 84758482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).