chempirical

3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propanenitrile

C12H16N2OCAS 119-95-9204.27 g/mol

Open in Covalent MOL file
NOHN
AlcoholNitrileTertiary amine

Properties

Molecular formula
C12H16N2O
Molar mass
204.27 g/mol
Exact mass
204.1263 Da
logP
1.71Crippen estimate
Polar surface area
47.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
119-95-9
SMILES
Cc1cccc(N(CCO)CCC#N)c1
InChIKey
OSNNWHRYDJYFJL-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2O/c1-11-4-2-5-12(10-11)14(8-9-15)7-3-6-13/h2,4-5,10,15H,3,7-9H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • Propanenitrile, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]-
  • Propionitrile, 3-[N-(2-hydroxyethyl)-m-toluidino]-
  • N-Cyanoethyl-N-oxyethyl-m-toluidine
  • 3-[N-(2-Hydroxyethyl)-m-toluidino]propionitrile
  • N-β-Cyanoethyl-N-β-hydroxyethyl-3-methylaniline
  • N-(Cyanoethyl)-N-(hydroxyethyl)-m-toluidine
  • N-(β-Cyanoethyl)-N-(β-hydroxyethyl)-M-toluidine
  • N-(2-Cyanoethyl)-N-(2-hydroxyethyl)-m-toluidine
  • NSC 329205
  • 3-((2-Hydroxyethyl)(m-tolyl)amino)propanenitrile
  • Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)-

Work with 3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propanenitrile

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

2,2'-((3-Methylphenyl)imino)bisethanol91-99-677 % similar 3-[(2-Hydroxyethyl)phenylamino]propanenitrile92-64-872 % similar 3-(Ethyl(3-methylphenyl)amino)propanenitrile148-69-670 % similar 3-Methyl-N-ethyl-N-(β-hydroxyethyl)aniline91-88-365 % similar 3,3′-(Phenylimino)bis[propanenitrile]1555-66-456 % similar N-Phenyldiethanolamine120-07-053 % similar N,N-Bis(2-hydroxyethyl)-p-toluidine3077-12-153 % similar 1-(3-Methylphenyl)piperazine41186-03-251 % similar

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

Same formula

5-Methoxy-α-methyltryptamine1137-04-8 1-Benzyl-pyrrolidine-3-carboxylic acid amide115687-29-1 5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine16620-52-3 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-1 N-4-Piperidylbenzamide33953-37-6 1-Acetyl-6-amino-3,3-dimethylindoline453562-71-5 (-)-N-Methylcytisine486-86-2 1-(4-Acetylphenyl)piperazine51639-48-6

Elsewhere

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