N-[2-(1H-Indol-3-yl)ethyl]-N'-(4-pyridinyl)-1,4-benzenediamine

C₂₁H₂₀N₄CAS 881202-45-5328.42 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₂₁H₂₀N₄
Molar mass: 328.42 g/mol
Exact mass: 328.1688 Da
logP: 4.96Crippen estimate
Polar surface area: 52.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 6

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

881202-45-5

SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4

InChIKey

CEGSUKYESLWKJP-UHFFFAOYSA-N

InChI

InChI=1S/C21H20N4/c1-2-4-21-20(3-1)16(15-24-21)9-14-23-17-5-7-18(8-6-17)25-19-10-12-22-13-11-19/h1-8,10-13,15,23-24H,9,14H2,(H,22,25)

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Names and synonyms

1 names

Serdemetan

Work with N-[2-(1H-Indol-3-yl)ethyl]-N'-(4-pyridinyl)-1,4-benzenediamine

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

Methyltryptamine61-49-451 % similar Indole-3-propanol3569-21-945 % similar 3,3′-Diindolylmethane1968-05-445 % similar 3-(2-Bromoethyl)indole3389-21-744 % similar Tryptophol526-55-644 % similar Tryptamine61-54-144 % similar Gramine87-52-542 % similar Indole-3-carbinol700-06-142 % similar

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

Elsewhere

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