4-((2-Hydroxyethyl)(methyl)amino)benzaldehyde

C₁₀H₁₃NO₂CAS 1201-91-8179.22 g/mol

Open in Covalent MOL file

Alcohol Aldehyde Tertiary amine

Properties

Molecular formula: C₁₀H₁₃NO₂
Molar mass: 179.22 g/mol
Exact mass: 179.0946 Da
logP: 0.93Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Identifiers

CAS number

1201-91-8

SMILES

CN(CCO)C1=CC=C(C=C1)C=O

InChIKey

JOCUIVLSLBBESN-UHFFFAOYSA-N

InChI

InChI=1S/C10H13NO2/c1-11(6-7-12)10-4-2-9(8-13)3-5-10/h2-5,8,12H,6-7H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

4-[(2-Hydroxyethyl)(methyl)amino]benzaldehyde

Work with 4-((2-Hydroxyethyl)(methyl)amino)benzaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-[(2-Chloroethyl)methylamino]benzaldehyde94-31-568 % similar 3-[(4-Formylphenyl)methylamino]propanenitrile94-21-361 % similar N-Methyl-N-(2-hydroxyethyl)-P-toluidine2842-44-659 % similar 2-(Methylphenylamino)ethanol93-90-358 % similar 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-151 % similar 4-(1-Pyrrolidinyl)benzaldehyde51980-54-249 % similar 4-(Piperidin-1-yl)benzaldehyde10338-57-547 % similar 4-(Diethylamino)benzaldehyde120-21-847 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl N,N-dimethylanthranilate10072-05-6 Dl-homophenylalanine1012-05-1 Phenibut1078-21-3 Dl-α-methylphenylalanine1132-26-9 3-Methylphenylalanine114926-37-3 3-Methyl-D-phenylalanine114926-39-5 Propham122-42-9 β-Aminobenzenebutanoic acid15099-85-1

Elsewhere

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