N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;1,1-dimethyl-2-(4-methyl-2-pyridinyl)hydrazine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide

C188H249FN26O13S4 — CID 158198164

About N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;1,1-dimethyl-2-(4-methyl-2-pyridinyl)hydrazine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide

N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;1,1-dimethyl-2-(4-methyl-2-pyridinyl)hydrazine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide (PubChem CID 158198164) has the molecular formula C188H249FN26O13S4 and a molecular weight of 3228.49 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;1,1-dimethyl-2-(4-methyl-2-pyridinyl)hydrazine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide.

Molecular Properties

• Compound Name: N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;1,1-dimethyl-2-(4-methyl-2-pyridinyl)hydrazine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide
• PubChem CID: 158198164
• Molecular Formula: C188H249FN26O13S4
• Molecular Weight: 3228.49 g/mol
• Exact Mass: 3225.85
• IUPAC Name: N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;1,1-dimethyl-2-(4-methyl-2-pyridinyl)hydrazine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide
• SMILES: Cc1cc[nH]c(=O)c1.Cc1ccc(F)cc1S(C)(=O)=O.Cc1cccc(C(N)=O)c1.Cc1cccc(CN(C)C)c1.Cc1cccc(CN)c1.Cc1ccccc1C#N.Cc1ccccc1C(=O)N(C)C.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN(C)C.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1CN1CCOCC1.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(CN)c1.Cc1ccnc(N)c1.Cc1ccnc(NN(C)C)c1.Cc1ccncc1.Cc1ccncc1S(C)(=O)=O.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\N)c1ccccc1C
• InChI: InChI=1S/C13H19N.C12H17NO.C12H17N.C10H14N2.C10H13NO.2C10H15N.C8H9FO2S.C8H13N3.C8H10N2.2C8H9NO.2C8H11N.C8H7N.C8H10O2S.C7H10N2.2C7H9NO2S.C6H8N2.C6H7NO.C6H7N/c1-12-7-3-4-8-13(12)11-14-9-5-2-6-10-14;1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13;1-11-6-2-3-7-12(11)10-13-8-4-5-9-13;1-8-6-4-5-7-9(8)10(11)12(2)3;1-8-6-4-5-7-9(8)10(12)11(2)3;1-9-5-4-6-10(7-9)8-11(2)3;1-9-6-4-5-7-10(9)8-11(2)3;1-6-3-4-7(9)5-8(6)12(2,10)11;1-7-4-5-9-8(6-7)10-11(2)3;1-6-4-2-3-5-7(6)8(9)10;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;2*1-7-4-2-3-5-8(7)6-9;1-7-5-3-4-6-8(7)11(2,9)10;1-6-2-3-9-7(4-6)5-8;1-6-3-4-8-5-7(6)11(2,9)10;1-6-4-2-3-5-7(6)11(8,9)10;1-5-2-3-8-6(7)4-5;1-5-2-3-7-6(8)4-5;1-6-2-4-7-5-3-6/h3-4,7-8H,2,5-6,9-11H2,1H3;2-5H,6-10H2,1H3;2-3,6-7H,4-5,8-10H2,1H3;4-7,11H,1-3H3;4-7H,1-3H3;2*4-7H,8H2,1-3H3;3-5H,1-2H3;4-6H,1-3H3,(H,9,10);2-5H,1H3,(H3,9,10);2*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;2-5H,1H3;3-6H,1-2H3;2-4H,5,8H2,1H3;3-5H,1-2H3;2-5H,1H3,(H2,8,9,10);2-4H,1H3,(H2,7,8);2-4H,1H3,(H,7,8);2-5H,1H3/b;;;11-10-
• InChIKey: GAPFIJUZHGVDLB-XXLJITLQSA-N
• XLogP: 32.88
• TPSA: 611.91 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3228.49
LogP ≤ 5	32.88
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;1,1-dimethyl-2-(4-methyl-2-pyridinyl)hydrazine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide?

The IUPAC name of N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;1,1-dimethyl-2-(4-methyl-2-pyridinyl)hydrazine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide (CID 158198164) is N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;1,1-dimethyl-2-(4-methyl-2-pyridinyl)hydrazine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide.

What is the SMILES notation for N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;1,1-dimethyl-2-(4-methyl-2-pyridinyl)hydrazine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide?

The canonical SMILES for N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;1,1-dimethyl-2-(4-methyl-2-pyridinyl)hydrazine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide is Cc1cc[nH]c(=O)c1.Cc1ccc(F)cc1S(C)(=O)=O.Cc1cccc(C(N)=O)c1.Cc1cccc(CN(C)C)c1.Cc1cccc(CN)c1.Cc1ccccc1C#N.Cc1ccccc1C(=O)N(C)C.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN(C)C.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1CN1CCOCC1.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(CN)c1.Cc1ccnc(N)c1.Cc1ccnc(NN(C)C)c1.Cc1ccncc1.Cc1ccncc1S(C)(=O)=O.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\N)c1ccccc1C.

What is the InChIKey of N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;1,1-dimethyl-2-(4-methyl-2-pyridinyl)hydrazine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide?

The InChIKey is GAPFIJUZHGVDLB-XXLJITLQSA-N. The full InChI is InChI=1S/C13H19N.C12H17NO.C12H17N.C10H14N2.C10H13NO.2C10H15N.C8H9FO2S.C8H13N3.C8H10N2.2C8H9NO.2C8H11N.C8H7N.C8H10O2S.C7H10N2.2C7H9NO2S.C6H8N2.C6H7NO.C6H7N/c1-12-7-3-4-8-13(12)11-14-9-5-2-6-10-14;1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13;1-11-6-2-3-7-12(11)10-13-8-4-5-9-13;1-8-6-4-5-7-9(8)10(11)12(2)3;1-8-6-4-5-7-9(8)10(12)11(2)3;1-9-5-4-6-10(7-9)8-11(2)3;1-9-6-4-5-7-10(9)8-11(2)3;1-6-3-4-7(9)5-8(6)12(2,10)11;1-7-4-5-9-8(6-7)10-11(2)3;1-6-4-2-3-5-7(6)8(9)10;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;2*1-7-4-2-3-5-8(7)6-9;1-7-5-3-4-6-8(7)11(2,9)10;1-6-2-3-9-7(4-6)5-8;1-6-3-4-8-5-7(6)11(2,9)10;1-6-4-2-3-5-7(6)11(8,9)10;1-5-2-3-8-6(7)4-5;1-5-2-3-7-6(8)4-5;1-6-2-4-7-5-3-6/h3-4,7-8H,2,5-6,9-11H2,1H3;2-5H,6-10H2,1H3;2-3,6-7H,4-5,8-10H2,1H3;4-7,11H,1-3H3;4-7H,1-3H3;2*4-7H,8H2,1-3H3;3-5H,1-2H3;4-6H,1-3H3,(H,9,10);2-5H,1H3,(H3,9,10);2*2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;2-5H,1H3;3-6H,1-2H3;2-4H,5,8H2,1H3;3-5H,1-2H3;2-5H,1H3,(H2,8,9,10);2-4H,1H3,(H2,7,8);2-4H,1H3,(H,7,8);2-5H,1H3/b;;;11-10-;;;;;;;;;;;;;;;;;;.

What are the key properties of N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;1,1-dimethyl-2-(4-methyl-2-pyridinyl)hydrazine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide?

N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;1,1-dimethyl-2-(4-methyl-2-pyridinyl)hydrazine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide has a molecular weight of 3228.49 g/mol, XLogP of 32.88, 24 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(3-methylphenyl)methanamine;1,1-dimethyl-2-(4-methyl-2-pyridinyl)hydrazine;4-fluoro-1-methyl-2-methylsulfonylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridine;4-methyl-1H-pyridin-2-one;(4-methyl-2-pyridinyl)methanamine;N,N,2-trimethylbenzamide;N,N,2-trimethylbenzenecarboximidamide is sourced from PubChem (CID 158198164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).