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247225-33-8 | Benzenamine, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-
CAS No: 247225-33-8 Catalog No: AG002P7U MDL No:MFCD01125302
Product Description
Catalog Number:
AG002P7U
Chemical Name:
Benzenamine, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-
CAS Number:
247225-33-8
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD01125302
IUPAC Name:
3-(2,5-dimethylpyrrol-1-yl)aniline
InChI:
InChI=1S/C12H14N2/c1-9-6-7-10(2)14(9)12-5-3-4-11(13)8-12/h3-8H,13H2,1-2H3
InChI Key:
PFZUTDHSWLXVSZ-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)n1c(C)ccc1C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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