3-(2-methoxyethylamino)benzaldehyde

C10H13NO2 — CID 88893508

IUPAC3-(2-methoxyethylamino)benzaldehyde
SMILESCOCCNc1cccc(C=O)c1
InChIInChI=1S/C10H13NO2/c1-13-6-5-11-10-4-2-3-9(7-10)8-12/h2-4,7-8,11H,5-6H2,1H3
InChIKeyAFMJOYLCQNEFDP-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.56
Rot. Bonds5

About 3-(2-methoxyethylamino)benzaldehyde

3-(2-methoxyethylamino)benzaldehyde (PubChem CID 88893508) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-(2-methoxyethylamino)benzaldehyde.

Molecular Properties

Compound Name3-(2-methoxyethylamino)benzaldehyde
PubChem CID88893508
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-(2-methoxyethylamino)benzaldehyde
SMILESCOCCNc1cccc(C=O)c1
InChIInChI=1S/C10H13NO2/c1-13-6-5-11-10-4-2-3-9(7-10)8-12/h2-4,7-8,11H,5-6H2,1H3
InChIKeyAFMJOYLCQNEFDP-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.56
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

3-(2-fluoroethylamino)benzaldehyde
CID 84652613
3-(tetradec-4-enylamino)benzaldehyde
CID 54044389
1-[3-(2-methoxyethylamino)phenyl]ethanol
CID 83962984
N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112752545
N-(2-methoxyethyl)-3-(2-methylpropoxy)aniline
CID 83961358
3,4-difluoro-N-(2-methoxyethyl)aniline
CID 28579883
3-(oxan-4-ylmethylamino)benzaldehyde
CID 139402350
3-[2-(2-methoxyethoxy)ethylamino]phenol
CID 3022408
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477
N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106912441
methyl 2-[(3-formylphenyl)sulfamoyl]acetate
CID 106913056

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylamino)benzaldehyde?
The IUPAC name of 3-(2-methoxyethylamino)benzaldehyde (CID 88893508) is 3-(2-methoxyethylamino)benzaldehyde.
What is the SMILES notation for 3-(2-methoxyethylamino)benzaldehyde?
The canonical SMILES for 3-(2-methoxyethylamino)benzaldehyde is COCCNc1cccc(C=O)c1.
What is the InChIKey of 3-(2-methoxyethylamino)benzaldehyde?
The InChIKey is AFMJOYLCQNEFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-13-6-5-11-10-4-2-3-9(7-10)8-12/h2-4,7-8,11H,5-6H2,1H3.
What are the key properties of 3-(2-methoxyethylamino)benzaldehyde?
3-(2-methoxyethylamino)benzaldehyde has a molecular weight of 179.22 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylamino)benzaldehyde is sourced from PubChem (CID 88893508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).