3-benzyl-1-methylindole;1,2-dimethylindole;1,3-dimethylindole;(1,2-dimethylindol-3-yl)methanamine;N,N-dimethyl-2-(1-methylindol-3-yl)ethanamine;N-ethyl-N-methylethanamine;(2S)-2-(methoxymethyl)-1-methylpyrrolidine;(2R)-2-(methoxymethyl)-1-methylpyrrolidine;1-methylindole;1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]indole;N-methyl-N-phenylaniline;N-methyl-N-propan-2-ylpropan-2-amine;7-methylpurine;9-methylpurine;1-methylpyrazole;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine;N,N,4-trimethylaniline

C165H230N30O2 — CID 158392430

About 3-benzyl-1-methylindole;1,2-dimethylindole;1,3-dimethylindole;(1,2-dimethylindol-3-yl)methanamine;N,N-dimethyl-2-(1-methylindol-3-yl)ethanamine;N-ethyl-N-methylethanamine;(2S)-2-(methoxymethyl)-1-methylpyrrolidine;(2R)-2-(methoxymethyl)-1-methylpyrrolidine;1-methylindole;1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]indole;N-methyl-N-phenylaniline;N-methyl-N-propan-2-ylpropan-2-amine;7-methylpurine;9-methylpurine;1-methylpyrazole;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine;N,N,4-trimethylaniline

3-benzyl-1-methylindole;1,2-dimethylindole;1,3-dimethylindole;(1,2-dimethylindol-3-yl)methanamine;N,N-dimethyl-2-(1-methylindol-3-yl)ethanamine;N-ethyl-N-methylethanamine;(2S)-2-(methoxymethyl)-1-methylpyrrolidine;(2R)-2-(methoxymethyl)-1-methylpyrrolidine;1-methylindole;1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]indole;N-methyl-N-phenylaniline;N-methyl-N-propan-2-ylpropan-2-amine;7-methylpurine;9-methylpurine;1-methylpyrazole;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine;N,N,4-trimethylaniline (PubChem CID 158392430) has the molecular formula C165H230N30O2 and a molecular weight of 2665.86 g/mol. Its IUPAC name is 3-benzyl-1-methylindole;1,2-dimethylindole;1,3-dimethylindole;(1,2-dimethylindol-3-yl)methanamine;N,N-dimethyl-2-(1-methylindol-3-yl)ethanamine;N-ethyl-N-methylethanamine;(2S)-2-(methoxymethyl)-1-methylpyrrolidine;(2R)-2-(methoxymethyl)-1-methylpyrrolidine;1-methylindole;1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]indole;N-methyl-N-phenylaniline;N-methyl-N-propan-2-ylpropan-2-amine;7-methylpurine;9-methylpurine;1-methylpyrazole;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine;N,N,4-trimethylaniline.

Molecular Properties

• Compound Name: 3-benzyl-1-methylindole;1,2-dimethylindole;1,3-dimethylindole;(1,2-dimethylindol-3-yl)methanamine;N,N-dimethyl-2-(1-methylindol-3-yl)ethanamine;N-ethyl-N-methylethanamine;(2S)-2-(methoxymethyl)-1-methylpyrrolidine;(2R)-2-(methoxymethyl)-1-methylpyrrolidine;1-methylindole;1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]indole;N-methyl-N-phenylaniline;N-methyl-N-propan-2-ylpropan-2-amine;7-methylpurine;9-methylpurine;1-methylpyrazole;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine;N,N,4-trimethylaniline
• PubChem CID: 158392430
• Molecular Formula: C165H230N30O2
• Molecular Weight: 2665.86 g/mol
• Exact Mass: 2663.88
• IUPAC Name: 3-benzyl-1-methylindole;1,2-dimethylindole;1,3-dimethylindole;(1,2-dimethylindol-3-yl)methanamine;N,N-dimethyl-2-(1-methylindol-3-yl)ethanamine;N-ethyl-N-methylethanamine;(2S)-2-(methoxymethyl)-1-methylpyrrolidine;(2R)-2-(methoxymethyl)-1-methylpyrrolidine;1-methylindole;1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]indole;N-methyl-N-phenylaniline;N-methyl-N-propan-2-ylpropan-2-amine;7-methylpurine;9-methylpurine;1-methylpyrazole;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine;N,N,4-trimethylaniline
• SMILES: CC(C)N(C)C(C)C.CCN(C)CC.CN(C)CCc1cn(C)c2ccccc12.CN(c1ccccc1)c1ccccc1.CN1CCCC1.CN1CCN(CCc2cn(C)c3ccccc23)CC1.COC[C@@H]1CCCN1C.COC[C@H]1CCCN1C.Cc1c(CN)c2ccccc2n1C.Cc1cc2ccccc2n1C.Cc1ccc(N(C)C)cc1.Cc1ccncc1.Cc1cn(C)c2ccccc12.Cn1cc(Cc2ccccc2)c2ccccc21.Cn1ccc2ccccc21.Cn1cccc1.Cn1cccn1.Cn1cnc2cncnc21.Cn1cnc2ncncc21
• InChI: InChI=1S/C16H23N3.C16H15N.C13H18N2.C13H13N.C11H14N2.2C10H11N.C9H9N.C9H13N.2C7H15NO.C7H17N.2C6H6N4.C6H7N.C5H11N.C5H7N.C5H13N.C4H6N2/c1-17-9-11-19(12-10-17)8-7-14-13-18(2)16-6-4-3-5-15(14)16;1-17-12-14(11-13-7-3-2-4-8-13)15-9-5-6-10-16(15)17;1-14(2)9-8-11-10-15(3)13-7-5-4-6-12(11)13;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-8-10(7-12)9-5-3-4-6-11(9)13(8)2;1-8-7-11(2)10-6-4-3-5-9(8)10;1-8-7-9-5-3-4-6-10(9)11(8)2;1-10-7-6-8-4-2-3-5-9(8)10;1-8-4-6-9(7-5-8)10(2)3;2*1-8-5-3-4-7(8)6-9-2;1-6(2)8(5)7(3)4;1-10-4-9-6-5(10)2-7-3-8-6;1-10-4-9-5-2-7-3-8-6(5)10;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;1-4-6(3)5-2;1-6-4-2-3-5-6/h3-6,13H,7-12H2,1-2H3;2-10,12H,11H2,1H3;4-7,10H,8-9H2,1-3H3;2-11H,1H3;3-6H,7,12H2,1-2H3;2*3-7H,1-2H3;2-7H,1H3;4-7H,1-3H3;2*7H,3-6H2,1-2H3;6-7H,1-5H3;2*2-4H,1H3;2-5H,1H3;2-5H2,1H3;2-5H,1H3;4-5H2,1-3H3;2-4H,1H3/t;;;;;;;;;2*7-;;;;;;;;/m.........10......../s1
• InChIKey: GXCXTMLPSQQVQH-DOOAKMCZSA-N
• XLogP: 31.05
• TPSA: 234.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2665.86
LogP ≤ 5	31.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methylindole;1,2-dimethylindole;1,3-dimethylindole;(1,2-dimethylindol-3-yl)methanamine;N,N-dimethyl-2-(1-methylindol-3-yl)ethanamine;N-ethyl-N-methylethanamine;(2S)-2-(methoxymethyl)-1-methylpyrrolidine;(2R)-2-(methoxymethyl)-1-methylpyrrolidine;1-methylindole;1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]indole;N-methyl-N-phenylaniline;N-methyl-N-propan-2-ylpropan-2-amine;7-methylpurine;9-methylpurine;1-methylpyrazole;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine;N,N,4-trimethylaniline?

The IUPAC name of 3-benzyl-1-methylindole;1,2-dimethylindole;1,3-dimethylindole;(1,2-dimethylindol-3-yl)methanamine;N,N-dimethyl-2-(1-methylindol-3-yl)ethanamine;N-ethyl-N-methylethanamine;(2S)-2-(methoxymethyl)-1-methylpyrrolidine;(2R)-2-(methoxymethyl)-1-methylpyrrolidine;1-methylindole;1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]indole;N-methyl-N-phenylaniline;N-methyl-N-propan-2-ylpropan-2-amine;7-methylpurine;9-methylpurine;1-methylpyrazole;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine;N,N,4-trimethylaniline (CID 158392430) is 3-benzyl-1-methylindole;1,2-dimethylindole;1,3-dimethylindole;(1,2-dimethylindol-3-yl)methanamine;N,N-dimethyl-2-(1-methylindol-3-yl)ethanamine;N-ethyl-N-methylethanamine;(2S)-2-(methoxymethyl)-1-methylpyrrolidine;(2R)-2-(methoxymethyl)-1-methylpyrrolidine;1-methylindole;1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]indole;N-methyl-N-phenylaniline;N-methyl-N-propan-2-ylpropan-2-amine;7-methylpurine;9-methylpurine;1-methylpyrazole;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine;N,N,4-trimethylaniline.

What is the SMILES notation for 3-benzyl-1-methylindole;1,2-dimethylindole;1,3-dimethylindole;(1,2-dimethylindol-3-yl)methanamine;N,N-dimethyl-2-(1-methylindol-3-yl)ethanamine;N-ethyl-N-methylethanamine;(2S)-2-(methoxymethyl)-1-methylpyrrolidine;(2R)-2-(methoxymethyl)-1-methylpyrrolidine;1-methylindole;1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]indole;N-methyl-N-phenylaniline;N-methyl-N-propan-2-ylpropan-2-amine;7-methylpurine;9-methylpurine;1-methylpyrazole;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine;N,N,4-trimethylaniline?

The canonical SMILES for 3-benzyl-1-methylindole;1,2-dimethylindole;1,3-dimethylindole;(1,2-dimethylindol-3-yl)methanamine;N,N-dimethyl-2-(1-methylindol-3-yl)ethanamine;N-ethyl-N-methylethanamine;(2S)-2-(methoxymethyl)-1-methylpyrrolidine;(2R)-2-(methoxymethyl)-1-methylpyrrolidine;1-methylindole;1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]indole;N-methyl-N-phenylaniline;N-methyl-N-propan-2-ylpropan-2-amine;7-methylpurine;9-methylpurine;1-methylpyrazole;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine;N,N,4-trimethylaniline is CC(C)N(C)C(C)C.CCN(C)CC.CN(C)CCc1cn(C)c2ccccc12.CN(c1ccccc1)c1ccccc1.CN1CCCC1.CN1CCN(CCc2cn(C)c3ccccc23)CC1.COC[C@@H]1CCCN1C.COC[C@H]1CCCN1C.Cc1c(CN)c2ccccc2n1C.Cc1cc2ccccc2n1C.Cc1ccc(N(C)C)cc1.Cc1ccncc1.Cc1cn(C)c2ccccc12.Cn1cc(Cc2ccccc2)c2ccccc21.Cn1ccc2ccccc21.Cn1cccc1.Cn1cccn1.Cn1cnc2cncnc21.Cn1cnc2ncncc21.

What is the InChIKey of 3-benzyl-1-methylindole;1,2-dimethylindole;1,3-dimethylindole;(1,2-dimethylindol-3-yl)methanamine;N,N-dimethyl-2-(1-methylindol-3-yl)ethanamine;N-ethyl-N-methylethanamine;(2S)-2-(methoxymethyl)-1-methylpyrrolidine;(2R)-2-(methoxymethyl)-1-methylpyrrolidine;1-methylindole;1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]indole;N-methyl-N-phenylaniline;N-methyl-N-propan-2-ylpropan-2-amine;7-methylpurine;9-methylpurine;1-methylpyrazole;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine;N,N,4-trimethylaniline?

The InChIKey is GXCXTMLPSQQVQH-DOOAKMCZSA-N. The full InChI is InChI=1S/C16H23N3.C16H15N.C13H18N2.C13H13N.C11H14N2.2C10H11N.C9H9N.C9H13N.2C7H15NO.C7H17N.2C6H6N4.C6H7N.C5H11N.C5H7N.C5H13N.C4H6N2/c1-17-9-11-19(12-10-17)8-7-14-13-18(2)16-6-4-3-5-15(14)16;1-17-12-14(11-13-7-3-2-4-8-13)15-9-5-6-10-16(15)17;1-14(2)9-8-11-10-15(3)13-7-5-4-6-12(11)13;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-8-10(7-12)9-5-3-4-6-11(9)13(8)2;1-8-7-11(2)10-6-4-3-5-9(8)10;1-8-7-9-5-3-4-6-10(9)11(8)2;1-10-7-6-8-4-2-3-5-9(8)10;1-8-4-6-9(7-5-8)10(2)3;2*1-8-5-3-4-7(8)6-9-2;1-6(2)8(5)7(3)4;1-10-4-9-6-5(10)2-7-3-8-6;1-10-4-9-5-2-7-3-8-6(5)10;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;1-4-6(3)5-2;1-6-4-2-3-5-6/h3-6,13H,7-12H2,1-2H3;2-10,12H,11H2,1H3;4-7,10H,8-9H2,1-3H3;2-11H,1H3;3-6H,7,12H2,1-2H3;2*3-7H,1-2H3;2-7H,1H3;4-7H,1-3H3;2*7H,3-6H2,1-2H3;6-7H,1-5H3;2*2-4H,1H3;2-5H,1H3;2-5H2,1H3;2-5H,1H3;4-5H2,1-3H3;2-4H,1H3/t;;;;;;;;;2*7-;;;;;;;;/m.........10......../s1.

What are the key properties of 3-benzyl-1-methylindole;1,2-dimethylindole;1,3-dimethylindole;(1,2-dimethylindol-3-yl)methanamine;N,N-dimethyl-2-(1-methylindol-3-yl)ethanamine;N-ethyl-N-methylethanamine;(2S)-2-(methoxymethyl)-1-methylpyrrolidine;(2R)-2-(methoxymethyl)-1-methylpyrrolidine;1-methylindole;1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]indole;N-methyl-N-phenylaniline;N-methyl-N-propan-2-ylpropan-2-amine;7-methylpurine;9-methylpurine;1-methylpyrazole;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine;N,N,4-trimethylaniline?

3-benzyl-1-methylindole;1,2-dimethylindole;1,3-dimethylindole;(1,2-dimethylindol-3-yl)methanamine;N,N-dimethyl-2-(1-methylindol-3-yl)ethanamine;N-ethyl-N-methylethanamine;(2S)-2-(methoxymethyl)-1-methylpyrrolidine;(2R)-2-(methoxymethyl)-1-methylpyrrolidine;1-methylindole;1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]indole;N-methyl-N-phenylaniline;N-methyl-N-propan-2-ylpropan-2-amine;7-methylpurine;9-methylpurine;1-methylpyrazole;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine;N,N,4-trimethylaniline has a molecular weight of 2665.86 g/mol, XLogP of 31.05, 20 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-1-methylindole;1,2-dimethylindole;1,3-dimethylindole;(1,2-dimethylindol-3-yl)methanamine;N,N-dimethyl-2-(1-methylindol-3-yl)ethanamine;N-ethyl-N-methylethanamine;(2S)-2-(methoxymethyl)-1-methylpyrrolidine;(2R)-2-(methoxymethyl)-1-methylpyrrolidine;1-methylindole;1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]indole;N-methyl-N-phenylaniline;N-methyl-N-propan-2-ylpropan-2-amine;7-methylpurine;9-methylpurine;1-methylpyrazole;4-methylpyridine;1-methylpyrrole;1-methylpyrrolidine;N,N,4-trimethylaniline is sourced from PubChem (CID 158392430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).