2,7-Dichloro-α-[(dibutylamino)methyl]-9H-fluorene-4-methanol

C₂₃H₂₉Cl₂NOCAS 69759-61-1406.39 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Tertiary amine

Properties

Molecular formula: C₂₃H₂₉Cl₂NO
Molar mass: 406.39 g/mol
Exact mass: 405.1626 Da
Melting point: 79–81 °C
logP: 6.50Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 9

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

69759-61-1

SMILES

CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2

InChIKey

DALUOHFKVYCDCW-UHFFFAOYSA-N

InChI

InChI=1S/C23H29Cl2NO/c1-3-5-9-26(10-6-4-2)15-22(27)21-14-19(25)13-17-11-16-12-18(24)7-8-20(16)23(17)21/h7-8,12-14,22,27H,3-6,9-11,15H2,1-2H3

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Names and synonyms

3 names

9H-Fluorene-4-methanol, 2,7-dichloro-α-[(dibutylamino)methyl]-
2-(Dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol
2,7-Dichloro-alpha-((dibutylamino)methyl)-9H-fluorene-4-methanol

Work with 2,7-Dichloro-α-[(dibutylamino)methyl]-9H-fluorene-4-methanol

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

Lumefantrine82186-77-462 % similar 2,7-Dichlorofluorene7012-16-039 % similar (±)-Halofantrine hydrochloride36167-63-238 % similar (S)-2-Chloro-1-(2,4-dichlorophenyl)ethanol126534-31-433 % similar 2,2'-Methylenebis(4-chlorophenol)1322-43-631 % similar Dichlorophen97-23-431 % similar

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

Elsewhere

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