2,5-Xylidine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as substituted anilines. These are organic compound containing an aniline group substituted at one or more positions.

Substituted anilines

Organic compounds

Benzenoids

Benzene and substituted derivatives

Anilines

Calculated Property

kind Value Source
logP 1.79 ALOGPS
logS -1.4 ALOGPS
Water Solubility 5.07e+00 g/l ALOGPS
logP 2.17 ChemAxon
IUPAC Name 2,5-dimethylaniline ChemAxon
Traditional IUPAC Name 2,5-xylidine ChemAxon
Molecular Weight 121.1796 ChemAxon
Monoisotopic Weight 121.089149357 ChemAxon
SMILES CC1=CC=C(C)C(N)=C1 ChemAxon
Molecular Formula C8H11N ChemAxon
InChI InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3 ChemAxon
InChIKey InChIKey=VOWZNBNDMFLQGM-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 26.02 ChemAxon
Refractivity 40.84 ChemAxon
Polarizability 14.46 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 4.65 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Nicotinate-nucleotide–dimethylbenzimidazole phosphoribosyltransferase : in Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)