4-[2-aminoethyl(methyl)amino]benzaldehyde

C10H14N2O — CID 138510674

IUPAC4-[2-aminoethyl(methyl)amino]benzaldehyde
SMILESCN(CCN)c1ccc(C=O)cc1
InChIInChI=1S/C10H14N2O/c1-12(7-6-11)10-4-2-9(8-13)3-5-10/h2-5,8H,6-7,11H2,1H3
InChIKeyDRDSANDHUGPTKM-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.89
Rot. Bonds4

About 4-[2-aminoethyl(methyl)amino]benzaldehyde

4-[2-aminoethyl(methyl)amino]benzaldehyde (PubChem CID 138510674) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-[2-aminoethyl(methyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-[2-aminoethyl(methyl)amino]benzaldehyde
PubChem CID138510674
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name4-[2-aminoethyl(methyl)amino]benzaldehyde
SMILESCN(CCN)c1ccc(C=O)cc1
InChIInChI=1S/C10H14N2O/c1-12(7-6-11)10-4-2-9(8-13)3-5-10/h2-5,8H,6-7,11H2,1H3
InChIKeyDRDSANDHUGPTKM-UHFFFAOYSA-N
XLogP0.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(methyl)amino]benzaldehyde?
The IUPAC name of 4-[2-aminoethyl(methyl)amino]benzaldehyde (CID 138510674) is 4-[2-aminoethyl(methyl)amino]benzaldehyde.
What is the SMILES notation for 4-[2-aminoethyl(methyl)amino]benzaldehyde?
The canonical SMILES for 4-[2-aminoethyl(methyl)amino]benzaldehyde is CN(CCN)c1ccc(C=O)cc1.
What is the InChIKey of 4-[2-aminoethyl(methyl)amino]benzaldehyde?
The InChIKey is DRDSANDHUGPTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12(7-6-11)10-4-2-9(8-13)3-5-10/h2-5,8H,6-7,11H2,1H3.
What are the key properties of 4-[2-aminoethyl(methyl)amino]benzaldehyde?
4-[2-aminoethyl(methyl)amino]benzaldehyde has a molecular weight of 178.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(methyl)amino]benzaldehyde is sourced from PubChem (CID 138510674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).