2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde

C11H14FNO2 — CID 115223032

IUPAC2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde
SMILESCOc1ccc(F)cc1CN(C)CC=O
InChIInChI=1S/C11H14FNO2/c1-13(5-6-14)8-9-7-10(12)3-4-11(9)15-2/h3-4,6-7H,5,8H2,1-2H3
InChIKeyUWIYABFGXDQXNH-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.47
Rot. Bonds5

About 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde

2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde (PubChem CID 115223032) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde
PubChem CID115223032
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde
SMILESCOc1ccc(F)cc1CN(C)CC=O
InChIInChI=1S/C11H14FNO2/c1-13(5-6-14)8-9-7-10(12)3-4-11(9)15-2/h3-4,6-7H,5,8H2,1-2H3
InChIKeyUWIYABFGXDQXNH-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224056
2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl-methylamino]acetaldehyde
CID 115223153
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 60988210
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 115230942
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetonitrile
CID 115131065
2-[(2,5-dichloro-4-methoxyphenyl)methyl-methylamino]acetaldehyde
CID 115223086
2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetaldehyde
CID 115223039
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
3-[[[4-(4-fluorophenoxy)phenyl]methyl-methylamino]methyl]-4-methoxybenzaldehyde
CID 88939638
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128249
2-[(4-ethoxy-3-fluorophenyl)methyl-methylamino]acetaldehyde
CID 115223071
[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde?
The IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde (CID 115223032) is 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde.
What is the SMILES notation for 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde?
The canonical SMILES for 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde is COc1ccc(F)cc1CN(C)CC=O.
What is the InChIKey of 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde?
The InChIKey is UWIYABFGXDQXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-13(5-6-14)8-9-7-10(12)3-4-11(9)15-2/h3-4,6-7H,5,8H2,1-2H3.
What are the key properties of 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde?
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde has a molecular weight of 211.24 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde is sourced from PubChem (CID 115223032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).