2-chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinazolin-4-amine

C182H213Cl3F4N34O12S2 — CID 158406643

IUPAC2-chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinazolin-4-amine
SMILESCOc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(F)cc1CN.Cc1ccc2c(N)nncc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1ccc2onc(N)c2c1.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(N)(=O)=O.Cc1ccnc(N)c1
InChIInChI=1S/C10H10N2.C9H9N3O.3C9H9N3.C9H11NO2.4C8H10FN.C8H8N2O.C8H11NO3S.2C8H9NO.2C8H11N.C8H10O.C7H8ClN.C7H7Cl.C7H9NO2S.C6H7ClN2.2C6H8N2/c1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-3-4-7(12-2)5-8(6)9(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;1-5-2-3-7-6(4-5)8(9)10-11-7;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;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-3-5(7)6(8)9-4;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5/h2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);3-5H,1-2H3,(H2,10,11);4*2-4H,5,10H2,1H3;2-4H,1H3,(H2,9,10);3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,9H2,1H3;2-5H,1H3;2-5H,1H3,(H2,8,9,10);2-3H,1H3,(H2,8,9);2*2-4H,1H3,(H2,7,8)
InChIKeyGYUAOTGLISXSDS-UHFFFAOYSA-N
MW3315.42 g/mol
LogP33.79
Rot. Bonds15

About 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinazolin-4-amine

2-chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinazolin-4-amine (PubChem CID 158406643) has the molecular formula C182H213Cl3F4N34O12S2 and a molecular weight of 3315.42 g/mol. Its IUPAC name is 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinazolin-4-amine
PubChem CID158406643
Molecular FormulaC182H213Cl3F4N34O12S2
Molecular Weight3315.42 g/mol
Exact Mass3311.55
IUPAC Name2-chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinazolin-4-amine
SMILESCOc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(F)cc1CN.Cc1ccc2c(N)nncc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1ccc2onc(N)c2c1.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(N)(=O)=O.Cc1ccnc(N)c1
InChIInChI=1S/C10H10N2.C9H9N3O.3C9H9N3.C9H11NO2.4C8H10FN.C8H8N2O.C8H11NO3S.2C8H9NO.2C8H11N.C8H10O.C7H8ClN.C7H7Cl.C7H9NO2S.C6H7ClN2.2C6H8N2/c1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-3-4-7(12-2)5-8(6)9(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;1-5-2-3-7-6(4-5)8(9)10-11-7;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;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-3-5(7)6(8)9-4;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5/h2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);3-5H,1-2H3,(H2,10,11);4*2-4H,5,10H2,1H3;2-4H,1H3,(H2,9,10);3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,9H2,1H3;2-5H,1H3;2-5H,1H3,(H2,8,9,10);2-3H,1H3,(H2,8,9);2*2-4H,1H3,(H2,7,8)
InChIKeyGYUAOTGLISXSDS-UHFFFAOYSA-N
XLogP33.79
TPSA884.05 Ų
H-Bond Donors22
H-Bond Acceptors39
Rotatable Bonds15
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003315.42
LogP ≤ 533.79
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinazolin-4-amine with MolForge

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Related Compounds

1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;bis(7-methylquinazolin-4-amine)
CID 157199492
2-Chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
CID 157307515
2-chloro-5-methylaniline;1-chloro-3-methylbenzene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-methylnaphthalene-2-sulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine
CID 157371483
2-chloro-5-methylaniline;1-chloro-3-methylbenzene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine
CID 157393167
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
CID 157396864
1-amino-7-methylisoquinoline-6-carboxamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
CID 157459623
2-chloro-5-methylaniline;1-chloro-3-methylbenzene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine
CID 157507318
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;6-methylnaphthalene-1,4-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
CID 157597175
2-chloro-5-methylaniline;1-chloro-3-methylbenzene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine
CID 157814843
2-chloro-5-methylaniline;1-chloro-3-methylbenzene;2-chloro-6-methylnaphthalene;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;6-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydroquinoline
CID 157948160
2-chloro-5-methylaniline;1-chloro-3-methylbenzene;2-chloro-6-methylnaphthalene;2,3-dihydro-1H-indole;2-fluoro-3-methylnaphthalene;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;2-methyl-3-methylsulfonylnaphthalene;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;3-methylnaphthalene-2-sulfonamide;(3-methylnaphthalen-2-yl)methanamine;2-methyl-1,8-naphthyridine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;7-methylquinoline
CID 158006425
1-amino-7-methylisoquinoline-6-carboxamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
CID 158173902

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinazolin-4-amine?
The IUPAC name of 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinazolin-4-amine (CID 158406643) is 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinazolin-4-amine?
The canonical SMILES for 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinazolin-4-amine is COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)c(S(N)(=O)=O)c1.COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(F)cc1CN.Cc1ccc2c(N)nncc2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1ccc2onc(N)c2c1.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(N)(=O)=O.Cc1ccnc(N)c1.
What is the InChIKey of 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinazolin-4-amine?
The InChIKey is GYUAOTGLISXSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C9H9N3O.3C9H9N3.C9H11NO2.4C8H10FN.C8H8N2O.C8H11NO3S.2C8H9NO.2C8H11N.C8H10O.C7H8ClN.C7H7Cl.C7H9NO2S.C6H7ClN2.2C6H8N2/c1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-3-2-4-7(5-6)8-10-9(13)12-11-8;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-8-7(4-6)5-11-12-9(8)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-3-4-7(12-2)5-8(6)9(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;1-5-2-3-7-6(4-5)8(9)10-11-7;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;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)7(9)4-5;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)11(8,9)10;1-4-2-3-5(7)6(8)9-4;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5/h2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12,13);2-5H,1H3,(H2,10,11,12);2*2-5H,1H3,(H2,10,12);3-5H,1-2H3,(H2,10,11);4*2-4H,5,10H2,1H3;2-4H,1H3,(H2,9,10);3-5H,1-2H3,(H2,9,10,11);2*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,9H2,1H3;2-5H,1H3;2-5H,1H3,(H2,8,9,10);2-3H,1H3,(H2,8,9);2*2-4H,1H3,(H2,7,8).
What are the key properties of 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinazolin-4-amine?
2-chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinazolin-4-amine has a molecular weight of 3315.42 g/mol, XLogP of 33.79, 15 rotatable bonds, 22 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;3-chloro-6-methylpyridin-2-amine;(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;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;5-methyl-1,2-benzoxazol-3-amine;7-methylisoquinolin-1-amine;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methylpyridin-2-amine;6-methylpyridin-2-amine;6-methylquinazolin-4-amine is sourced from PubChem (CID 158406643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).