3,5-bis(2-aminoethoxy)benzaldehyde

C11H16N2O3 — CID 89220527

IUPAC3,5-bis(2-aminoethoxy)benzaldehyde
SMILESNCCOc1cc(C=O)cc(OCCN)c1
InChIInChI=1S/C11H16N2O3/c12-1-3-15-10-5-9(8-14)6-11(7-10)16-4-2-13/h5-8H,1-4,12-13H2
InChIKeyWWBUPUNKOBISII-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.17
Rot. Bonds7

About 3,5-bis(2-aminoethoxy)benzaldehyde

3,5-bis(2-aminoethoxy)benzaldehyde (PubChem CID 89220527) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3,5-bis(2-aminoethoxy)benzaldehyde.

Molecular Properties

Compound Name3,5-bis(2-aminoethoxy)benzaldehyde
PubChem CID89220527
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3,5-bis(2-aminoethoxy)benzaldehyde
SMILESNCCOc1cc(C=O)cc(OCCN)c1
InChIInChI=1S/C11H16N2O3/c12-1-3-15-10-5-9(8-14)6-11(7-10)16-4-2-13/h5-8H,1-4,12-13H2
InChIKeyWWBUPUNKOBISII-UHFFFAOYSA-N
XLogP0.17
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-bis(4-bromobutoxy)benzaldehyde
CID 121004759
3,5-didodecoxybenzaldehyde
CID 23127431
2-[3-(2-aminoethoxy)phenoxy]acetaldehyde
CID 163403817
2-[3-(carboxymethoxy)-5-formylphenoxy]acetic acid
CID 57316447
ethyl 2-[3-(2-ethoxy-2-oxoethoxy)-5-formylphenoxy]acetate
CID 86184091
3-(2-hydroxyethoxy)-5-methylbenzaldehyde
CID 170132633
5-prop-2-enoxybenzene-1,3-dicarbaldehyde
CID 10750177
2-(3,5-difluorophenoxy)ethanamine;hydrochloride
CID 66980622
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone
CID 160658832
(9Z,12Z)-20-[3-[(8Z,11Z)-19-carboxynonadeca-8,11-dienoxy]-5-formylphenoxy]icosa-9,12-dienoic acid
CID 154406335
3-fluoro-5-hept-6-enoxybenzaldehyde
CID 107007342

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-aminoethoxy)benzaldehyde?
The IUPAC name of 3,5-bis(2-aminoethoxy)benzaldehyde (CID 89220527) is 3,5-bis(2-aminoethoxy)benzaldehyde.
What is the SMILES notation for 3,5-bis(2-aminoethoxy)benzaldehyde?
The canonical SMILES for 3,5-bis(2-aminoethoxy)benzaldehyde is NCCOc1cc(C=O)cc(OCCN)c1.
What is the InChIKey of 3,5-bis(2-aminoethoxy)benzaldehyde?
The InChIKey is WWBUPUNKOBISII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-1-3-15-10-5-9(8-14)6-11(7-10)16-4-2-13/h5-8H,1-4,12-13H2.
What are the key properties of 3,5-bis(2-aminoethoxy)benzaldehyde?
3,5-bis(2-aminoethoxy)benzaldehyde has a molecular weight of 224.26 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-aminoethoxy)benzaldehyde is sourced from PubChem (CID 89220527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).