4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde

C11H15NO3 — CID 117298510

IUPAC4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde
SMILESCOc1c(C=O)ccc(CCN)c1OC
InChIInChI=1S/C11H15NO3/c1-14-10-8(5-6-12)3-4-9(7-13)11(10)15-2/h3-4,7H,5-6,12H2,1-2H3
InChIKeyKXNCYLMUJAHKGM-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.02
Rot. Bonds5

About 4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde

4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde (PubChem CID 117298510) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde.

Molecular Properties

Compound Name4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde
PubChem CID117298510
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde
SMILESCOc1c(C=O)ccc(CCN)c1OC
InChIInChI=1S/C11H15NO3/c1-14-10-8(5-6-12)3-4-9(7-13)11(10)15-2/h3-4,7H,5-6,12H2,1-2H3
InChIKeyKXNCYLMUJAHKGM-UHFFFAOYSA-N
XLogP1.02
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-formyl-2,3-dimethoxyphenyl)butanoic acid
CID 117383557
2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine
CID 170886567
4-(isocyanatomethyl)-2,3-dimethoxybenzaldehyde
CID 117315287
2-(4-methoxy-1,3-benzodioxol-5-yl)ethanamine
CID 11127161
2-(difluoromethoxy)-3-methoxyterephthalaldehyde
CID 171027843
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)ethanamine
CID 117370209
2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 84674503
2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine
CID 117320406
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine
CID 59994575
2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 117282550
4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde
CID 101016058

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde?
The IUPAC name of 4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde (CID 117298510) is 4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde.
What is the SMILES notation for 4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde?
The canonical SMILES for 4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde is COc1c(C=O)ccc(CCN)c1OC.
What is the InChIKey of 4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde?
The InChIKey is KXNCYLMUJAHKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-10-8(5-6-12)3-4-9(7-13)11(10)15-2/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde?
4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde has a molecular weight of 209.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2,3-dimethoxybenzaldehyde is sourced from PubChem (CID 117298510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).