3-(1H-Pyrrol-1-yl)aniline

C₁₀H₁₀N₂CAS 89353-42-4158.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀N₂
Molar mass: 158.20 g/mol
Exact mass: 158.0844 Da
logP: 2.06Crippen estimate
Polar surface area: 30.9 Å²
H-bond donors / acceptors: 1 / 1
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

89353-42-4

SMILES

C1=CN(C=C1)C2=CC=CC(=C2)N

InChIKey

PJGDCPOPSNUYHC-UHFFFAOYSA-N

InChI

InChI=1S/C10H10N2/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h1-8H,11H2

Weigh it out

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Work with 3-(1H-Pyrrol-1-yl)aniline

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

M-Phenylenediamine108-45-252 % similar 1-(3-Bromophenyl)-1H-pyrrole107302-22-752 % similar 1-Phenylpyrrole635-90-548 % similar m-Phenylenediamine hydrochloride541-69-546 % similar 3-Chloroaniline108-42-943 % similar 3-Fluoroaniline372-19-043 % similar M-Toluidine108-44-141 % similar 3,3′-Diaminodiphenyl ether15268-07-241 % similar

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

Same formula

3-Methyl-1-phenyl-1H-pyrazole1128-54-7 8-Aminoquinaldine18978-78-4 2-Naphthylhydrazine2243-57-4 1,5-Diaminonaphthalene2243-62-1 2,3-Dimethylquinoxaline2379-55-7 4-Methyl-2-quinolinamine27063-27-0 3-Methyl-5-phenylpyrazole3347-62-4 1-Benzylimidazole4238-71-5

Elsewhere

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