chempirical

2-Amino-5-methoxybenzonitrile

C8H8N2OCAS 23842-82-2148.16 g/mol

Open in Covalent MOL file
ONH2N
EtherNitrilePrimary amine

Properties

Molecular formula
C8H8N2O
Molar mass
148.16 g/mol
Exact mass
148.0637 Da
logP
1.15Crippen estimate
Polar surface area
59.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
23842-82-2
SMILES
COC1=CC(=C(C=C1)N)C#N
InChIKey
SRWMPAZUWXLIPG-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2O/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4H,10H2,1H3

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Work with 2-Amino-5-methoxybenzonitrile

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

2,5-Dimethoxybenzonitrile5312-97-066 % similar 2-Fluoro-5-methoxybenzonitrile127667-01-062 % similar 2-Bromo-5-methoxybenzonitrile138642-47-462 % similar 2,4-Dimethoxybenzonitrile4107-65-761 % similar 2-Amino-4,5-dimethoxybenzonitrile26961-27-358 % similar 2-Amino-5-methylbenzonitrile5925-93-958 % similar 2-Fluoro-4-methoxybenzonitrile94610-82-957 % similar 4-Methoxy-1,2-phenylenediamine102-51-257 % similar

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

Same formula

1-(1,3-Benzoxazol-2-yl)methanamine101333-98-6 5-(Hydroxymethyl)-1H-benzimidazole106429-29-2 4-Methoxy-1H-pyrrolo(2,3-b)pyridine122379-63-9 7-Methoxy-6-azaindole160590-40-9 5-Methoxy-1H-pyrrolo[2,3-B]pyridine183208-36-8 5-Aminooxindole20876-36-2 5-Aminoisoindolin-1-one222036-66-0 4-Methoxy-1H-indazole351210-06-5

Elsewhere

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