2-[3-(2-aminoethoxy)phenoxy]acetaldehyde

C10H13NO3 — CID 163403817

IUPAC2-[3-(2-aminoethoxy)phenoxy]acetaldehyde
SMILESNCCOc1cccc(OCC=O)c1
InChIInChI=1S/C10H13NO3/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h1-3,5,8H,4,6-7,11H2
InChIKeyINLNGGRHPWSVRA-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.60
Rot. Bonds6

About 2-[3-(2-aminoethoxy)phenoxy]acetaldehyde

2-[3-(2-aminoethoxy)phenoxy]acetaldehyde (PubChem CID 163403817) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[3-(2-aminoethoxy)phenoxy]acetaldehyde.

Molecular Properties

Compound Name2-[3-(2-aminoethoxy)phenoxy]acetaldehyde
PubChem CID163403817
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-[3-(2-aminoethoxy)phenoxy]acetaldehyde
SMILESNCCOc1cccc(OCC=O)c1
InChIInChI=1S/C10H13NO3/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h1-3,5,8H,4,6-7,11H2
InChIKeyINLNGGRHPWSVRA-UHFFFAOYSA-N
XLogP0.60
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(2-aminoethoxy)phenoxy]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-propoxyphenoxy)acetaldehyde
CID 158555885
2-(3-methoxyphenoxy)acetaldehyde
CID 15692237
2-(3-iodophenoxy)acetaldehyde
CID 54101837
2-[3-(aminooxymethyl)phenoxy]acetaldehyde
CID 130193211
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
3,5-bis(2-aminoethoxy)benzaldehyde
CID 89220527
1-[3-(2-aminoethoxy)phenoxy]propan-2-ol
CID 71018405
3-[[3-(2-aminoethoxy)phenoxy]methyl]pentan-3-yl hypoiodite
CID 170001651
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
2-(3-cyclopropylphenoxy)ethanamine
CID 89209631
tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
CID 156819756
(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol
CID 130373001

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethoxy)phenoxy]acetaldehyde?
The IUPAC name of 2-[3-(2-aminoethoxy)phenoxy]acetaldehyde (CID 163403817) is 2-[3-(2-aminoethoxy)phenoxy]acetaldehyde.
What is the SMILES notation for 2-[3-(2-aminoethoxy)phenoxy]acetaldehyde?
The canonical SMILES for 2-[3-(2-aminoethoxy)phenoxy]acetaldehyde is NCCOc1cccc(OCC=O)c1.
What is the InChIKey of 2-[3-(2-aminoethoxy)phenoxy]acetaldehyde?
The InChIKey is INLNGGRHPWSVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h1-3,5,8H,4,6-7,11H2.
What are the key properties of 2-[3-(2-aminoethoxy)phenoxy]acetaldehyde?
2-[3-(2-aminoethoxy)phenoxy]acetaldehyde has a molecular weight of 195.22 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethoxy)phenoxy]acetaldehyde is sourced from PubChem (CID 163403817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).