5-Chloro-2-dodecyloxy aniline

C₁₈H₃₀ClNOCAS 208345-70-4311.89 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₁₈H₃₀ClNO
Molar mass: 311.89 g/mol
Exact mass: 311.2016 Da
logP: 6.22Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 12

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

208345-70-4

SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)Cl)N

InChIKey

YSUKKGDSLGOSIN-UHFFFAOYSA-N

InChI

InChI=1S/C18H30ClNO/c1-2-3-4-5-6-7-8-9-10-11-14-21-18-13-12-16(19)15-17(18)20/h12-13,15H,2-11,14,20H2,1H3

Weigh it out

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Work with 5-Chloro-2-dodecyloxy 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

5-Chloro-2-methoxyaniline95-03-453 % similar 2-Methoxy-5-chloroaniline hydrochloride4274-03-749 % similar 1,3-Bis-(2,4-diaminophenoxy)propane81892-72-048 % similar 5-Chloro-2-(4-chlorophenoxy)benzenamine121-27-746 % similar p-Heptyloxyaniline39905-44-745 % similar 4-(Octyloxy)benzenamine39905-45-845 % similar 4-Hexyloxyaniline39905-57-245 % similar 1,3-Bis(2,4-diaminophenoxy)propane tetrahydrochloride74918-21-144 % similar

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

Elsewhere

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