2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine

C205H254Cl6F4N26O18S5 — CID 158091516

IUPAC2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
SMILESCOc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(CN)c1.COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1.COc1ccc(CN)c(C)c1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(C)nc1.Cc1ccc(CN)cc1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)cc1CN.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1
InChIInChI=1S/C9H9N3O.C9H11NO2.2C9H13NO.C9H12O3S.4C8H10FN.C8H11NO3S.2C8H9NO.3C8H11N.C8H10O2S.C8H10O.C7H8ClN.2C7H7Cl.C7H9NO2S.C7H9N.C6H7ClN2.C6H6ClN.2C6H8N2.C5H5ClS/c1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-3-4-7(12-2)5-8(6)9(10)11;1-7-5-9(11-2)4-3-8(7)6-10;1-7-3-4-9(11-2)5-8(7)6-10;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-7(5-10)3-2-4-8(6)9;1-6-3-2-4-8(9)7(6)5-10;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-5-3-4-6-8(7)11(2,9)10;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)11(8,9)10;1-6-3-4-7(2)8-5-6;1-4-2-3-5(7)6(8)9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h2-5H,1H3,(H2,10,11,12,13);3-5H,1-2H3,(H2,10,11);2*3-5H,6,10H2,1-2H3;4-6H,1-3H3;4*2-4H,5,10H2,1H3;3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);3*2-5H,6,9H2,1H3;3-6H,1-2H3;3-6H,1-2H3;2-4H,9H2,1H3;2*2-5H,1H3;2-5H,1H3,(H2,8,9,10);3-5H,1-2H3;2-3H,1H3,(H2,8,9);2-4H,1H3;2*2-4H,1H3,(H2,7,8);2-3H,1H3
InChIKeyFODSBGOEMVBMIF-UHFFFAOYSA-N
MW3819.50 g/mol
LogP41.67
Rot. Bonds23

About 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine

2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine (PubChem CID 158091516) has the molecular formula C205H254Cl6F4N26O18S5 and a molecular weight of 3819.50 g/mol. Its IUPAC name is 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine.

Molecular Properties

Compound Name2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
PubChem CID158091516
Molecular FormulaC205H254Cl6F4N26O18S5
Molecular Weight3819.50 g/mol
Exact Mass3813.64
IUPAC Name2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
SMILESCOc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(CN)c1.COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1.COc1ccc(CN)c(C)c1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(C)nc1.Cc1ccc(CN)cc1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)cc1CN.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1
InChIInChI=1S/C9H9N3O.C9H11NO2.2C9H13NO.C9H12O3S.4C8H10FN.C8H11NO3S.2C8H9NO.3C8H11N.C8H10O2S.C8H10O.C7H8ClN.2C7H7Cl.C7H9NO2S.C7H9N.C6H7ClN2.C6H6ClN.2C6H8N2.C5H5ClS/c1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-3-4-7(12-2)5-8(6)9(10)11;1-7-5-9(11-2)4-3-8(7)6-10;1-7-3-4-9(11-2)5-8(7)6-10;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-7(5-10)3-2-4-8(6)9;1-6-3-2-4-8(9)7(6)5-10;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-5-3-4-6-8(7)11(2,9)10;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)11(8,9)10;1-6-3-4-7(2)8-5-6;1-4-2-3-5(7)6(8)9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h2-5H,1H3,(H2,10,11,12,13);3-5H,1-2H3,(H2,10,11);2*3-5H,6,10H2,1-2H3;4-6H,1-3H3;4*2-4H,5,10H2,1H3;3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);3*2-5H,6,9H2,1H3;3-6H,1-2H3;3-6H,1-2H3;2-4H,9H2,1H3;2*2-5H,1H3;2-5H,1H3,(H2,8,9,10);3-5H,1-2H3;2-3H,1H3,(H2,8,9);2-4H,1H3;2*2-4H,1H3,(H2,7,8);2-3H,1H3
InChIKeyFODSBGOEMVBMIF-UHFFFAOYSA-N
XLogP41.67
TPSA837.50 Ų
H-Bond Donors20
H-Bond Acceptors38
Rotatable Bonds23
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003819.50
LogP ≤ 541.67
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
The IUPAC name of 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine (CID 158091516) is 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine.
What is the SMILES notation for 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
The canonical SMILES for 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine is COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(CN)c1.COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1.COc1ccc(CN)c(C)c1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(C)nc1.Cc1ccc(CN)cc1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)cc1CN.Cc1cccc(-c2n[nH]c(=O)[nH]2)c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1.
What is the InChIKey of 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
The InChIKey is FODSBGOEMVBMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.C9H11NO2.2C9H13NO.C9H12O3S.4C8H10FN.C8H11NO3S.2C8H9NO.3C8H11N.C8H10O2S.C8H10O.C7H8ClN.2C7H7Cl.C7H9NO2S.C7H9N.C6H7ClN2.C6H6ClN.2C6H8N2.C5H5ClS/c1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-3-4-7(12-2)5-8(6)9(10)11;1-7-5-9(11-2)4-3-8(7)6-10;1-7-3-4-9(11-2)5-8(7)6-10;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-7(5-10)3-2-4-8(6)9;1-6-3-2-4-8(9)7(6)5-10;1-6-3-4-7(12-2)5-8(6)13(9,10)11;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-5-3-4-6-8(7)11(2,9)10;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)11(8,9)10;1-6-3-4-7(2)8-5-6;1-4-2-3-5(7)6(8)9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h2-5H,1H3,(H2,10,11,12,13);3-5H,1-2H3,(H2,10,11);2*3-5H,6,10H2,1-2H3;4-6H,1-3H3;4*2-4H,5,10H2,1H3;3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);3*2-5H,6,9H2,1H3;3-6H,1-2H3;3-6H,1-2H3;2-4H,9H2,1H3;2*2-5H,1H3;2-5H,1H3,(H2,8,9,10);3-5H,1-2H3;2-3H,1H3,(H2,8,9);2-4H,1H3;2*2-4H,1H3,(H2,7,8);2-3H,1H3.
What are the key properties of 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine has a molecular weight of 3819.50 g/mol, XLogP of 41.67, 23 rotatable bonds, 20 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;2,5-dimethylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine is sourced from PubChem (CID 158091516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).