2,5-Dimethyl-1-phenylpyrrole

C₁₂H₁₃NCAS 83-24-9171.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₃N
Molar mass: 171.24 g/mol
Exact mass: 171.1048 Da
Melting point: 51–52 °C
Boiling point: 60–61 °C (at 0.05 Torr)
logP: 3.09Crippen estimate
Polar surface area: 4.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

83-24-9

SMILES

Cc1ccc(C)n1-c1ccccc1

InChIKey

JNXIFVSGXLGULI-UHFFFAOYSA-N

InChI

InChI=1S/C12H13N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-9H,1-2H3

Weigh it out

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Names and synonyms

6 names

1H-Pyrrole, 2,5-dimethyl-1-phenyl-
Pyrrole, 2,5-dimethyl-1-phenyl-
2,5-Dimethyl-1-phenyl-1H-pyrrole
1-Phenyl-2,5-dimethylpyrrole
N-Phenyl-2,5-dimethylpyrrole
NSC 163170

Work with 2,5-Dimethyl-1-phenylpyrrole

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

1-(4-Bromophenyl)-2,5-dimethyl-1H-pyrrole5044-24-656 % similar 1-[4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl]ethanone83935-45-947 % similar 2,5-Dimethyl-1-phenyl-1H-pyrrole-3-carboxaldehyde83-18-145 % similar 2,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrrole5044-22-445 % similar 9-Phenylcarbazole1150-62-544 % similar 3,5-Dimethyl-1-phenylpyrazole1131-16-443 % similar 4-Phenyl-1,2,4-triazolidine-3,5-dione15988-11-141 % similar Antipyrine60-80-039 % similar

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

Same formula

(-)-1-(1-Naphthyl)ethylamine10420-89-0 N-Ethyl-1-naphthalenamine118-44-5 6-Isopropylquinoline135-79-5 Rasagiline136236-51-6 N-Methyl-1-naphthalenemethanamine14489-75-9 N,N-Dimethyl-2-naphthalenamine2436-85-3 (-)-1-(2-Naphthyl)ethylamine3082-62-0 (+)-1-(1-Naphthyl)ethylamine3886-70-2

Elsewhere

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