ethane;2-[2-(methylamino)phenoxy]acetaldehyde

C11H17NO2 — CID 142381629

IUPACethane;2-[2-(methylamino)phenoxy]acetaldehyde
SMILESCC.CNc1ccccc1OCC=O
InChIInChI=1S/C9H11NO2.C2H6/c1-10-8-4-2-3-5-9(8)12-7-6-11;1-2/h2-6,10H,7H2,1H3;1-2H3
InChIKeySAXZFYUECDPYDA-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.33
Rot. Bonds4

About ethane;2-[2-(methylamino)phenoxy]acetaldehyde

ethane;2-[2-(methylamino)phenoxy]acetaldehyde (PubChem CID 142381629) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethane;2-[2-(methylamino)phenoxy]acetaldehyde.

Molecular Properties

Compound Nameethane;2-[2-(methylamino)phenoxy]acetaldehyde
PubChem CID142381629
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethane;2-[2-(methylamino)phenoxy]acetaldehyde
SMILESCC.CNc1ccccc1OCC=O
InChIInChI=1S/C9H11NO2.C2H6/c1-10-8-4-2-3-5-9(8)12-7-6-11;1-2/h2-6,10H,7H2,1H3;1-2H3
InChIKeySAXZFYUECDPYDA-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde
CID 177054962
2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde
CID 178062339
2-(aminomethoxy)-N-methylaniline
CID 68963769
N-methyl-2-[(2E)-2-[methyl(phenyl)hydrazinylidene]ethoxy]aniline
CID 143578012
N-methyl-2-prop-2-ynoxyaniline
CID 130693648
2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde
CID 59991777
2-oxoethyl 2-(methylamino)benzoate
CID 143044559
N-methyl-2-(3-phenylpropoxy)aniline
CID 54803384
2-(3-hydroxy-2-methylphenoxy)acetaldehyde
CID 86739690
2-(2-oxoethoxy)benzamide
CID 21273663
N-[2-[(E)-3-phenylprop-2-enoxy]phenyl]acetamide
CID 13123868
6-(methylamino)-5-(2-oxoethoxy)pyridine-2-carbaldehyde
CID 143875760

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(methylamino)phenoxy]acetaldehyde?
The IUPAC name of ethane;2-[2-(methylamino)phenoxy]acetaldehyde (CID 142381629) is ethane;2-[2-(methylamino)phenoxy]acetaldehyde.
What is the SMILES notation for ethane;2-[2-(methylamino)phenoxy]acetaldehyde?
The canonical SMILES for ethane;2-[2-(methylamino)phenoxy]acetaldehyde is CC.CNc1ccccc1OCC=O.
What is the InChIKey of ethane;2-[2-(methylamino)phenoxy]acetaldehyde?
The InChIKey is SAXZFYUECDPYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C2H6/c1-10-8-4-2-3-5-9(8)12-7-6-11;1-2/h2-6,10H,7H2,1H3;1-2H3.
What are the key properties of ethane;2-[2-(methylamino)phenoxy]acetaldehyde?
ethane;2-[2-(methylamino)phenoxy]acetaldehyde has a molecular weight of 195.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(methylamino)phenoxy]acetaldehyde is sourced from PubChem (CID 142381629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).