2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-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;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;bis(2-methylbenzamide);3-methylbenzamide;2-methylbenzenesulfonamide;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine

C153H190Cl4F4N20O10S — CID 160514476

IUPAC2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-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;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;bis(2-methylbenzamide);3-methylbenzamide;2-methylbenzenesulfonamide;(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)cc1.COc1ccc(CN)c(C)c1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(CN)cc1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1CN.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1C(N)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1
InChIInChI=1S/C9H11NO2.2C9H13NO.4C8H10FN.3C8H9NO.2C8H11N.C8H10O.C7H8ClN.2C7H7Cl.C7H9NO2S.C6H7ClN2.2C6H8N2/c1-6-3-4-7(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;1-6-4-8(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;1-6-3-2-4-7(5-6)8(9)10;2*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;1-7-3-5-8(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;1-4-2-3-5(7)6(8)9-4;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5/h3-5H,1-2H3,(H2,10,11);2*3-5H,6,10H2,1-2H3;4*2-4H,5,10H2,1H3;3*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,9H2,1H3;2*2-5H,1H3;2-5H,1H3,(H2,8,9,10);2-3H,1H3,(H2,8,9);2*2-4H,1H3,(H2,7,8)
InChIKeyQTLUTUFCXXMMTB-UHFFFAOYSA-N
MW2719.20 g/mol
LogP30.33
Rot. Bonds17

About 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-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;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;bis(2-methylbenzamide);3-methylbenzamide;2-methylbenzenesulfonamide;(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;(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;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;bis(2-methylbenzamide);3-methylbenzamide;2-methylbenzenesulfonamide;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine (PubChem CID 160514476) has the molecular formula C153H190Cl4F4N20O10S and a molecular weight of 2719.20 g/mol. Its IUPAC name is 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-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;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;bis(2-methylbenzamide);3-methylbenzamide;2-methylbenzenesulfonamide;(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;(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;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;bis(2-methylbenzamide);3-methylbenzamide;2-methylbenzenesulfonamide;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
PubChem CID160514476
Molecular FormulaC153H190Cl4F4N20O10S
Molecular Weight2719.20 g/mol
Exact Mass2715.34
IUPAC Name2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-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;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;bis(2-methylbenzamide);3-methylbenzamide;2-methylbenzenesulfonamide;(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)cc1.COc1ccc(CN)c(C)c1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(CN)cc1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1CN.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1C(N)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(N)c1
InChIInChI=1S/C9H11NO2.2C9H13NO.4C8H10FN.3C8H9NO.2C8H11N.C8H10O.C7H8ClN.2C7H7Cl.C7H9NO2S.C6H7ClN2.2C6H8N2/c1-6-3-4-7(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;1-6-4-8(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;1-6-3-2-4-7(5-6)8(9)10;2*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;1-7-3-5-8(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;1-4-2-3-5(7)6(8)9-4;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5/h3-5H,1-2H3,(H2,10,11);2*3-5H,6,10H2,1-2H3;4*2-4H,5,10H2,1H3;3*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,9H2,1H3;2*2-5H,1H3;2-5H,1H3,(H2,8,9,10);2-3H,1H3,(H2,8,9);2*2-4H,1H3,(H2,7,8)
InChIKeyQTLUTUFCXXMMTB-UHFFFAOYSA-N
XLogP30.33
TPSA620.35 Ų
H-Bond Donors17
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002719.20
LogP ≤ 530.33
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1025

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;(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;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;bis(2-methylbenzamide);3-methylbenzamide;2-methylbenzenesulfonamide;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine with MolForge

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Related Compounds

2-tert-butyl-5-(2-methylpropyl)phenol;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine
CID 157740482
2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-isocyano-4-(2-methylpropyl)pyridine;N-methyl-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine
CID 158861561
2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine
CID 160810004
2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine
CID 161361750
Benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;2-methylbenzamide;2-methylbenzenesulfonamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
CID 157101503
[4-(Aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;(5-chloro-2-methylphenyl)methanamine;1-ethyl-4-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;2-methoxy-5-methylpyridine;(2-methylphenyl)methanamine;toluene
CID 157150197
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;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(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-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
CID 157319460
2-Chloro-4,5-dimethylaniline;4-chloro-1,2-dimethylbenzene;3-chloro-5,6-dimethylpyridin-2-amine;2,3-dimethylbenzamide;3,4-dimethylbenzamide;2,3-dimethylbenzenesulfonamide;(2,3-dimethylphenyl)methanamine;bis((3,4-dimethylphenyl)methanamine);4,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;(4-fluoro-2,3-dimethylphenyl)methanamine;(5-fluoro-2,3-dimethylphenyl)methanamine;(6-fluoro-2,3-dimethylphenyl)methanamine;methane;5-methoxy-2,3-dimethylbenzamide;bis(4-methoxy-1,2-dimethylbenzene);(4-methoxy-2,3-dimethylphenyl)methanamine;(5-methoxy-2,3-dimethylphenyl)methanamine
CID 157329038
2-Chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;(5-chloro-2-methylphenyl)methanamine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
CID 157535824
[4-(Aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-4-methylaniline;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylpyridine;5-chloro-2-methylpyridine;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzamide;3-methylbenzenecarboximidamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine
CID 157684779
1-Chloro-6-fluoro-7-methylnaphthalene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1-chloro-7-methyl-6-methylsulfonylnaphthalene;5-chloro-3-methylnaphthalene-2-sulfonamide;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(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;4-methylpyridin-2-amine;6-methylpyridin-2-amine
CID 157827195

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;(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;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;bis(2-methylbenzamide);3-methylbenzamide;2-methylbenzenesulfonamide;(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;(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;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;bis(2-methylbenzamide);3-methylbenzamide;2-methylbenzenesulfonamide;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine (CID 160514476) is 2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-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;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;bis(2-methylbenzamide);3-methylbenzamide;2-methylbenzenesulfonamide;(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;(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;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;bis(2-methylbenzamide);3-methylbenzamide;2-methylbenzenesulfonamide;(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;(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;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;bis(2-methylbenzamide);3-methylbenzamide;2-methylbenzenesulfonamide;(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)cc1.COc1ccc(CN)c(C)c1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(CN)cc1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1CN.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1C(N)=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;(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;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;bis(2-methylbenzamide);3-methylbenzamide;2-methylbenzenesulfonamide;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?
The InChIKey is QTLUTUFCXXMMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.2C9H13NO.4C8H10FN.3C8H9NO.2C8H11N.C8H10O.C7H8ClN.2C7H7Cl.C7H9NO2S.C6H7ClN2.2C6H8N2/c1-6-3-4-7(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;1-6-4-8(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;1-6-3-2-4-7(5-6)8(9)10;2*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;1-7-3-5-8(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;1-4-2-3-5(7)6(8)9-4;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5/h3-5H,1-2H3,(H2,10,11);2*3-5H,6,10H2,1-2H3;4*2-4H,5,10H2,1H3;3*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,9H2,1H3;2*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;1-chloro-4-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;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;bis(2-methylbenzamide);3-methylbenzamide;2-methylbenzenesulfonamide;(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;(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;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;bis(2-methylbenzamide);3-methylbenzamide;2-methylbenzenesulfonamide;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine has a molecular weight of 2719.20 g/mol, XLogP of 30.33, 17 rotatable bonds, 17 hydrogen bond donors, and 25 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;(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;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;bis(2-methylbenzamide);3-methylbenzamide;2-methylbenzenesulfonamide;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine is sourced from PubChem (CID 160514476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).