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

C166H227Cl3F3N19O10S — CID 157329038

IUPAC2-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
SMILESC.COc1cc(C)c(C)c(C(N)=O)c1.COc1cc(C)c(C)c(CN)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(CN)c(C)c1C.Cc1c(F)ccc(CN)c1C.Cc1cc(Cl)c(N)nc1C.Cc1cc(F)cc(CN)c1C.Cc1cc(N)c(Cl)cc1C.Cc1ccc(C(N)=O)cc1C.Cc1ccc(CN)cc1C.Cc1ccc(CN)cc1C.Cc1ccc(Cl)cc1C.Cc1ccc(F)c(CN)c1C.Cc1ccc(N)nc1C.Cc1cccc(C(N)=O)c1C.Cc1cccc(CN)c1C.Cc1cccc(S(N)(=O)=O)c1C.Cc1cnc(N)cc1C
InChIInChI=1S/C10H13NO2.2C10H15NO.3C9H12FN.2C9H11NO.3C9H13N.2C9H12O.C8H10ClN.C8H9Cl.C8H11NO2S.C7H9ClN2.2C7H10N2.CH4/c1-6-4-8(13-3)5-9(7(6)2)10(11)12;1-7-4-10(12-3)5-9(6-11)8(7)2;1-7-8(2)10(12-3)5-4-9(7)6-11;1-6-3-9(10)4-8(5-11)7(6)2;1-6-7(2)9(10)4-3-8(6)5-11;1-6-3-4-9(10)8(5-11)7(6)2;1-6-3-4-8(9(10)11)5-7(6)2;1-6-4-3-5-8(7(6)2)9(10)11;2*1-7-3-4-9(6-10)5-8(7)2;1-7-4-3-5-9(6-10)8(7)2;2*1-7-4-5-9(10-3)6-8(7)2;1-5-3-7(9)8(10)4-6(5)2;1-6-3-4-8(9)5-7(6)2;1-6-4-3-5-8(7(6)2)12(9,10)11;1-4-3-6(8)7(9)10-5(4)2;1-5-3-7(8)9-4-6(5)2;1-5-3-4-7(8)9-6(5)2;/h4-5H,1-3H3,(H2,11,12);2*4-5H,6,11H2,1-3H3;3*3-4H,5,11H2,1-2H3;2*3-5H,1-2H3,(H2,10,11);3*3-5H,6,10H2,1-2H3;2*4-6H,1-3H3;3-4H,10H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H2,9,10,11);3H,1-2H3,(H2,9,10);2*3-4H,1-2H3,(H2,8,9);1H4
InChIKeyBFBLKPARDXSCEB-UHFFFAOYSA-N
MW2844.18 g/mol
LogP34.95
Rot. Bonds17

About 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

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 (PubChem CID 157329038) has the molecular formula C166H227Cl3F3N19O10S and a molecular weight of 2844.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID157329038
Molecular FormulaC166H227Cl3F3N19O10S
Molecular Weight2844.18 g/mol
Exact Mass2840.66
IUPAC Name2-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
SMILESC.COc1cc(C)c(C)c(C(N)=O)c1.COc1cc(C)c(C)c(CN)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(CN)c(C)c1C.Cc1c(F)ccc(CN)c1C.Cc1cc(Cl)c(N)nc1C.Cc1cc(F)cc(CN)c1C.Cc1cc(N)c(Cl)cc1C.Cc1ccc(C(N)=O)cc1C.Cc1ccc(CN)cc1C.Cc1ccc(CN)cc1C.Cc1ccc(Cl)cc1C.Cc1ccc(F)c(CN)c1C.Cc1ccc(N)nc1C.Cc1cccc(C(N)=O)c1C.Cc1cccc(CN)c1C.Cc1cccc(S(N)(=O)=O)c1C.Cc1cnc(N)cc1C
InChIInChI=1S/C10H13NO2.2C10H15NO.3C9H12FN.2C9H11NO.3C9H13N.2C9H12O.C8H10ClN.C8H9Cl.C8H11NO2S.C7H9ClN2.2C7H10N2.CH4/c1-6-4-8(13-3)5-9(7(6)2)10(11)12;1-7-4-10(12-3)5-9(6-11)8(7)2;1-7-8(2)10(12-3)5-4-9(7)6-11;1-6-3-9(10)4-8(5-11)7(6)2;1-6-7(2)9(10)4-3-8(6)5-11;1-6-3-4-9(10)8(5-11)7(6)2;1-6-3-4-8(9(10)11)5-7(6)2;1-6-4-3-5-8(7(6)2)9(10)11;2*1-7-3-4-9(6-10)5-8(7)2;1-7-4-3-5-9(6-10)8(7)2;2*1-7-4-5-9(10-3)6-8(7)2;1-5-3-7(9)8(10)4-6(5)2;1-6-3-4-8(9)5-7(6)2;1-6-4-3-5-8(7(6)2)12(9,10)11;1-4-3-6(8)7(9)10-5(4)2;1-5-3-7(8)9-4-6(5)2;1-5-3-4-7(8)9-6(5)2;/h4-5H,1-3H3,(H2,11,12);2*4-5H,6,11H2,1-3H3;3*3-4H,5,11H2,1-2H3;2*3-5H,1-2H3,(H2,10,11);3*3-5H,6,10H2,1-2H3;2*4-6H,1-3H3;3-4H,10H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H2,9,10,11);3H,1-2H3,(H2,9,10);2*3-4H,1-2H3,(H2,8,9);1H4
InChIKeyBFBLKPARDXSCEB-UHFFFAOYSA-N
XLogP34.95
TPSA586.49 Ų
H-Bond Donors16
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002844.18
LogP ≤ 534.95
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 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 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;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;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 158167999
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-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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.COc1cc(C)c(C)c(C(N)=O)c1.COc1cc(C)c(C)c(CN)c1.COc1ccc(C)c(C)c1.COc1ccc(C)c(C)c1.COc1ccc(CN)c(C)c1C.Cc1c(F)ccc(CN)c1C.Cc1cc(Cl)c(N)nc1C.Cc1cc(F)cc(CN)c1C.Cc1cc(N)c(Cl)cc1C.Cc1ccc(C(N)=O)cc1C.Cc1ccc(CN)cc1C.Cc1ccc(CN)cc1C.Cc1ccc(Cl)cc1C.Cc1ccc(F)c(CN)c1C.Cc1ccc(N)nc1C.Cc1cccc(C(N)=O)c1C.Cc1cccc(CN)c1C.Cc1cccc(S(N)(=O)=O)c1C.Cc1cnc(N)cc1C.
What is the InChIKey of 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?
The InChIKey is BFBLKPARDXSCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.2C10H15NO.3C9H12FN.2C9H11NO.3C9H13N.2C9H12O.C8H10ClN.C8H9Cl.C8H11NO2S.C7H9ClN2.2C7H10N2.CH4/c1-6-4-8(13-3)5-9(7(6)2)10(11)12;1-7-4-10(12-3)5-9(6-11)8(7)2;1-7-8(2)10(12-3)5-4-9(7)6-11;1-6-3-9(10)4-8(5-11)7(6)2;1-6-7(2)9(10)4-3-8(6)5-11;1-6-3-4-9(10)8(5-11)7(6)2;1-6-3-4-8(9(10)11)5-7(6)2;1-6-4-3-5-8(7(6)2)9(10)11;2*1-7-3-4-9(6-10)5-8(7)2;1-7-4-3-5-9(6-10)8(7)2;2*1-7-4-5-9(10-3)6-8(7)2;1-5-3-7(9)8(10)4-6(5)2;1-6-3-4-8(9)5-7(6)2;1-6-4-3-5-8(7(6)2)12(9,10)11;1-4-3-6(8)7(9)10-5(4)2;1-5-3-7(8)9-4-6(5)2;1-5-3-4-7(8)9-6(5)2;/h4-5H,1-3H3,(H2,11,12);2*4-5H,6,11H2,1-3H3;3*3-4H,5,11H2,1-2H3;2*3-5H,1-2H3,(H2,10,11);3*3-5H,6,10H2,1-2H3;2*4-6H,1-3H3;3-4H,10H2,1-2H3;3-5H,1-2H3;3-5H,1-2H3,(H2,9,10,11);3H,1-2H3,(H2,9,10);2*3-4H,1-2H3,(H2,8,9);1H4.
What are the key properties of 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?
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 has a molecular weight of 2844.18 g/mol, XLogP of 34.95, 17 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157329038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).