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842958-59-2 | 3-(2,5-DIMETHYL-PYRROL-1-YL)-2-METHYL-PHENYLAMINE
CAS No: 842958-59-2 Catalog No: AG004TI5 MDL No:MFCD07186305
Product Description
Catalog Number:
AG004TI5
Chemical Name:
3-(2,5-DIMETHYL-PYRROL-1-YL)-2-METHYL-PHENYLAMINE
CAS Number:
842958-59-2
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
MDL Number:
MFCD07186305
IUPAC Name:
3-(2,5-dimethylpyrrol-1-yl)-2-methylaniline
InChI:
InChI=1S/C13H16N2/c1-9-7-8-10(2)15(9)13-6-4-5-12(14)11(13)3/h4-8H,14H2,1-3H3
InChI Key:
PLCFIZHPYTYHEC-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1C)n1c(C)ccc1C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.285g/mol
Monoisotopic Mass:
200.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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