5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde

C11H15NO3 — CID 117298695

IUPAC5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde
SMILESCOc1cc(C(C)N)cc(C=O)c1OC
InChIInChI=1S/C11H15NO3/c1-7(12)8-4-9(6-13)11(15-3)10(5-8)14-2/h4-7H,12H2,1-3H3
InChIKeyODOIYSAHPAIYLQ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.54
Rot. Bonds4

About 5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde

5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde (PubChem CID 117298695) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde.

Molecular Properties

Compound Name5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde
PubChem CID117298695
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde
SMILESCOc1cc(C(C)N)cc(C=O)c1OC
InChIInChI=1S/C11H15NO3/c1-7(12)8-4-9(6-13)11(15-3)10(5-8)14-2/h4-7H,12H2,1-3H3
InChIKeyODOIYSAHPAIYLQ-UHFFFAOYSA-N
XLogP1.54
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.54
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

5-(1-aminoethyl)-2-methoxybenzaldehyde
CID 105438045
1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine
CID 175788959
5-[1-hydroxy-2-(methylamino)ethyl]-2,3-dimethoxybenzaldehyde
CID 117350636
1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine
CID 84706946
3-fluoro-2,4,5-trimethoxybenzaldehyde
CID 117275489
1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine
CID 117343739
(E)-3-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]prop-2-en-1-amine
CID 117350900
5-[3-(3,4-dimethoxy-5-methylphenyl)pentan-2-yl]-2-hydroxy-3-methylbenzaldehyde
CID 170294844
2-bromo-3,4,5-trimethoxybenzaldehyde;1,1-dimethoxyethane
CID 88526505
5-(2,6-dimethylphenyl)-2,3-dimethoxybenzaldehyde
CID 82038968
5-[(1-aminocyclopropyl)methyl]-2,3-dimethoxybenzaldehyde
CID 117342405
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde?
The IUPAC name of 5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde (CID 117298695) is 5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde.
What is the SMILES notation for 5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde?
The canonical SMILES for 5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde is COc1cc(C(C)N)cc(C=O)c1OC.
What is the InChIKey of 5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde?
The InChIKey is ODOIYSAHPAIYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(12)8-4-9(6-13)11(15-3)10(5-8)14-2/h4-7H,12H2,1-3H3.
What are the key properties of 5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde?
5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde has a molecular weight of 209.24 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde is sourced from PubChem (CID 117298695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).