chempirical

Methylenebis(3-chloro-2,6-diethylaniline)

C21H28Cl2N2CAS 106246-33-7379.37 g/mol

Open in Covalent MOL file
NH2ClClH2N
Aryl halidePrimary amine

Properties

Molecular formula
C21H28Cl2N2
Molar mass
379.37 g/mol
Exact mass
378.1630 Da
logP
6.00Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
6

Identifiers

CAS number
106246-33-7
SMILES
CCc1cc(Cc2cc(CC)c(N)c(CC)c2Cl)c(Cl)c(CC)c1N
InChIKey
VIOMIGLBMQVNLY-UHFFFAOYSA-N
InChI
InChI=1S/C21H28Cl2N2/c1-5-12-9-14(18(22)16(7-3)20(12)24)11-15-10-13(6-2)21(25)17(8-4)19(15)23/h9-10H,5-8,11,24-25H2,1-4H3

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Names and synonyms

12 names
  • Benzenamine, 4,4′-methylenebis[3-chloro-2,6-diethyl-
  • 4,4′-Methylenebis[3-chloro-2,6-diethylbenzenamine]
  • 4,4′-Methylenebis(3-chloro-2,6-diethylaniline)
  • Lonzacure M-CDEA
  • Bis(4-amino-2-chloro-3,5-diethylphenyl)methane
  • C-BS 300
  • Lonzacure M-CDEA-GS
  • 2,2′-Dichloro-3,3′,5,5′-tetraethyl-4,4′-diaminodiphenylmethane
  • Versalink MCDEA
  • M-CDEA
  • Methylenebis(3-chloro-2,6-diethyl-aniline)
  • MCDEA

Work with Methylenebis(3-chloro-2,6-diethylaniline)

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

4,4′-Methylenebis[2,6-diethylaniline]13680-35-848 % similar 2,6-Diethyl-4-methylbenzenamine24544-08-944 % similar 2,6-Diethylaniline579-66-844 % similar 2-Ethyl-6-methylaniline24549-06-238 % similar 6-Amino-2,4-dichloro-3-ethylphenol hydrochloride101819-99-236 % similar 4,4′-Methylenebis[2-ethylbenzenamine]19900-65-333 % similar 2,3,5,6-Tetrachloroaniline3481-20-732 % similar

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

Elsewhere

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