[4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylbenzenesulfonamide;4-chloro-2-methyl-1-methylsulfonylbenzene;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-1-methyl-2-methylsulfonylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzenecarboximidamide;1-methyl-2-methylsulfonylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;toluene

C199H247Cl8F6N17O14S4 — CID 160575417

IUPAC[4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylbenzenesulfonamide;4-chloro-2-methyl-1-methylsulfonylbenzene;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-1-methyl-2-methylsulfonylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzenecarboximidamide;1-methyl-2-methylsulfonylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;toluene
SMILESCCc1ccc(C)cc1.COc1ccc(C)c(CN)c1.COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)cc1.COc1ccc(CN)c(C)c1.COc1cccc(C)c1CN.Cc1c(F)cccc1CN.Cc1cc(CN)ccc1CN.Cc1cc(Cl)ccc1C(N)=O.Cc1cc(Cl)ccc1S(C)(=O)=O.Cc1cc(Cl)ccc1S(N)(=O)=O.Cc1cc(F)ccc1CN.Cc1ccc(CN)cc1.Cc1ccc(Cl)c(F)c1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)cc1.Cc1ccc(F)c(Cl)c1.Cc1ccc(F)cc1CN.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1ccccc1.Cc1ccccc1CN.Cc1ccccc1S(C)(=O)=O.[H]/N=C(\N)c1cccc(C)c1
InChIInChI=1S/C9H14N2.3C9H13NO.C9H12O3S.C9H12.C8H8ClNO.C8H9ClO2S.4C8H10FN.C8H10N2.3C8H11N.C8H10O2S.C8H10O.2C7H6ClF.C7H8ClNO2S.C7H8ClN.2C7H7Cl.C7H8/c1-7-4-8(5-10)2-3-9(7)6-11;1-7-5-9(11-2)4-3-8(7)6-10;1-7-3-4-9(11-2)5-8(7)6-10;1-7-4-3-5-9(11-2)8(7)6-10;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-3-9-6-4-8(2)5-7-9;1-5-4-6(9)2-3-7(5)8(10)11;1-6-5-7(9)3-4-8(6)12(2,10)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;1-6-3-2-4-7(5-6)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;1-5-2-3-7(9)6(8)4-5;1-5-2-3-6(8)7(9)4-5;1-5-4-6(8)2-3-7(5)12(9,10)11;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;1-7-5-3-2-4-6-7/h2-4H,5-6,10-11H2,1H3;3*3-5H,6,10H2,1-2H3;4-6H,1-3H3;4-7H,3H2,1-2H3;2-4H,1H3,(H2,10,11);3-5H,1-2H3;4*2-4H,5,10H2,1H3;2-5H,1H3,(H3,9,10);3*2-5H,6,9H2,1H3;3-6H,1-2H3;3-6H,1-2H3;2*2-4H,1H3;2-4H,1H3,(H2,9,10,11);2-4H,9H2,1H3;2*2-5H,1H3;2-6H,1H3
InChIKeyRBBUXBINPNOHIW-UHFFFAOYSA-N
MW3627.15 g/mol
LogP44.87
Rot. Bonds24

About [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylbenzenesulfonamide;4-chloro-2-methyl-1-methylsulfonylbenzene;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-1-methyl-2-methylsulfonylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzenecarboximidamide;1-methyl-2-methylsulfonylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;toluene

[4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylbenzenesulfonamide;4-chloro-2-methyl-1-methylsulfonylbenzene;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-1-methyl-2-methylsulfonylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzenecarboximidamide;1-methyl-2-methylsulfonylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;toluene (PubChem CID 160575417) has the molecular formula C199H247Cl8F6N17O14S4 and a molecular weight of 3627.15 g/mol. Its IUPAC name is [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylbenzenesulfonamide;4-chloro-2-methyl-1-methylsulfonylbenzene;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-1-methyl-2-methylsulfonylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzenecarboximidamide;1-methyl-2-methylsulfonylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;toluene.

Molecular Properties

Compound Name[4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylbenzenesulfonamide;4-chloro-2-methyl-1-methylsulfonylbenzene;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-1-methyl-2-methylsulfonylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzenecarboximidamide;1-methyl-2-methylsulfonylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;toluene
PubChem CID160575417
Molecular FormulaC199H247Cl8F6N17O14S4
Molecular Weight3627.15 g/mol
Exact Mass3620.54
IUPAC Name[4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylbenzenesulfonamide;4-chloro-2-methyl-1-methylsulfonylbenzene;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-1-methyl-2-methylsulfonylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzenecarboximidamide;1-methyl-2-methylsulfonylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;toluene
SMILESCCc1ccc(C)cc1.COc1ccc(C)c(CN)c1.COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)cc1.COc1ccc(CN)c(C)c1.COc1cccc(C)c1CN.Cc1c(F)cccc1CN.Cc1cc(CN)ccc1CN.Cc1cc(Cl)ccc1C(N)=O.Cc1cc(Cl)ccc1S(C)(=O)=O.Cc1cc(Cl)ccc1S(N)(=O)=O.Cc1cc(F)ccc1CN.Cc1ccc(CN)cc1.Cc1ccc(Cl)c(F)c1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)cc1.Cc1ccc(F)c(Cl)c1.Cc1ccc(F)cc1CN.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1ccccc1.Cc1ccccc1CN.Cc1ccccc1S(C)(=O)=O.[H]/N=C(\N)c1cccc(C)c1
InChIInChI=1S/C9H14N2.3C9H13NO.C9H12O3S.C9H12.C8H8ClNO.C8H9ClO2S.4C8H10FN.C8H10N2.3C8H11N.C8H10O2S.C8H10O.2C7H6ClF.C7H8ClNO2S.C7H8ClN.2C7H7Cl.C7H8/c1-7-4-8(5-10)2-3-9(7)6-11;1-7-5-9(11-2)4-3-8(7)6-10;1-7-3-4-9(11-2)5-8(7)6-10;1-7-4-3-5-9(11-2)8(7)6-10;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-3-9-6-4-8(2)5-7-9;1-5-4-6(9)2-3-7(5)8(10)11;1-6-5-7(9)3-4-8(6)12(2,10)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;1-6-3-2-4-7(5-6)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;1-5-2-3-7(9)6(8)4-5;1-5-2-3-6(8)7(9)4-5;1-5-4-6(8)2-3-7(5)12(9,10)11;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;1-7-5-3-2-4-6-7/h2-4H,5-6,10-11H2,1H3;3*3-5H,6,10H2,1-2H3;4-6H,1-3H3;4-7H,3H2,1-2H3;2-4H,1H3,(H2,10,11);3-5H,1-2H3;4*2-4H,5,10H2,1H3;2-5H,1H3,(H3,9,10);3*2-5H,6,9H2,1H3;3-6H,1-2H3;3-6H,1-2H3;2*2-4H,1H3;2-4H,1H3,(H2,9,10,11);2-4H,9H2,1H3;2*2-5H,1H3;2-6H,1H3
InChIKeyRBBUXBINPNOHIW-UHFFFAOYSA-N
XLogP44.87
TPSA639.95 Ų
H-Bond Donors17
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms248
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003627.15
LogP ≤ 544.87
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylbenzenesulfonamide;4-chloro-2-methyl-1-methylsulfonylbenzene;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-1-methyl-2-methylsulfonylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzenecarboximidamide;1-methyl-2-methylsulfonylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;toluene with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylbenzenesulfonamide;4-chloro-2-methyl-1-methylsulfonylbenzene;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-1-methyl-2-methylsulfonylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzenecarboximidamide;1-methyl-2-methylsulfonylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;toluene?
The IUPAC name of [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylbenzenesulfonamide;4-chloro-2-methyl-1-methylsulfonylbenzene;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-1-methyl-2-methylsulfonylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzenecarboximidamide;1-methyl-2-methylsulfonylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;toluene (CID 160575417) is [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylbenzenesulfonamide;4-chloro-2-methyl-1-methylsulfonylbenzene;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-1-methyl-2-methylsulfonylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzenecarboximidamide;1-methyl-2-methylsulfonylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;toluene.
What is the SMILES notation for [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylbenzenesulfonamide;4-chloro-2-methyl-1-methylsulfonylbenzene;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-1-methyl-2-methylsulfonylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzenecarboximidamide;1-methyl-2-methylsulfonylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;toluene?
The canonical SMILES for [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylbenzenesulfonamide;4-chloro-2-methyl-1-methylsulfonylbenzene;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-1-methyl-2-methylsulfonylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzenecarboximidamide;1-methyl-2-methylsulfonylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;toluene is CCc1ccc(C)cc1.COc1ccc(C)c(CN)c1.COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)cc1.COc1ccc(CN)c(C)c1.COc1cccc(C)c1CN.Cc1c(F)cccc1CN.Cc1cc(CN)ccc1CN.Cc1cc(Cl)ccc1C(N)=O.Cc1cc(Cl)ccc1S(C)(=O)=O.Cc1cc(Cl)ccc1S(N)(=O)=O.Cc1cc(F)ccc1CN.Cc1ccc(CN)cc1.Cc1ccc(Cl)c(F)c1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)cc1.Cc1ccc(F)c(Cl)c1.Cc1ccc(F)cc1CN.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(F)c1CN.Cc1ccccc1.Cc1ccccc1CN.Cc1ccccc1S(C)(=O)=O.[H]/N=C(\N)c1cccc(C)c1.
What is the InChIKey of [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylbenzenesulfonamide;4-chloro-2-methyl-1-methylsulfonylbenzene;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-1-methyl-2-methylsulfonylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzenecarboximidamide;1-methyl-2-methylsulfonylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;toluene?
The InChIKey is RBBUXBINPNOHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.3C9H13NO.C9H12O3S.C9H12.C8H8ClNO.C8H9ClO2S.4C8H10FN.C8H10N2.3C8H11N.C8H10O2S.C8H10O.2C7H6ClF.C7H8ClNO2S.C7H8ClN.2C7H7Cl.C7H8/c1-7-4-8(5-10)2-3-9(7)6-11;1-7-5-9(11-2)4-3-8(7)6-10;1-7-3-4-9(11-2)5-8(7)6-10;1-7-4-3-5-9(11-2)8(7)6-10;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-3-9-6-4-8(2)5-7-9;1-5-4-6(9)2-3-7(5)8(10)11;1-6-5-7(9)3-4-8(6)12(2,10)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;1-6-3-2-4-7(5-6)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;1-5-2-3-7(9)6(8)4-5;1-5-2-3-6(8)7(9)4-5;1-5-4-6(8)2-3-7(5)12(9,10)11;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;1-7-5-3-2-4-6-7/h2-4H,5-6,10-11H2,1H3;3*3-5H,6,10H2,1-2H3;4-6H,1-3H3;4-7H,3H2,1-2H3;2-4H,1H3,(H2,10,11);3-5H,1-2H3;4*2-4H,5,10H2,1H3;2-5H,1H3,(H3,9,10);3*2-5H,6,9H2,1H3;3-6H,1-2H3;3-6H,1-2H3;2*2-4H,1H3;2-4H,1H3,(H2,9,10,11);2-4H,9H2,1H3;2*2-5H,1H3;2-6H,1H3.
What are the key properties of [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylbenzenesulfonamide;4-chloro-2-methyl-1-methylsulfonylbenzene;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-1-methyl-2-methylsulfonylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzenecarboximidamide;1-methyl-2-methylsulfonylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;toluene?
[4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylbenzenesulfonamide;4-chloro-2-methyl-1-methylsulfonylbenzene;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-1-methyl-2-methylsulfonylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzenecarboximidamide;1-methyl-2-methylsulfonylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;toluene has a molecular weight of 3627.15 g/mol, XLogP of 44.87, 24 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-3-methylphenyl]methanamine;1-chloro-2-fluoro-4-methylbenzene;2-chloro-1-fluoro-4-methylbenzene;2-chloro-5-methylaniline;4-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methylbenzenesulfonamide;4-chloro-2-methyl-1-methylsulfonylbenzene;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-1-methyl-2-methylsulfonylbenzene;(2-methoxy-6-methylphenyl)methanamine;(4-methoxy-2-methylphenyl)methanamine;(5-methoxy-2-methylphenyl)methanamine;3-methylbenzenecarboximidamide;1-methyl-2-methylsulfonylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;toluene is sourced from PubChem (CID 160575417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).