1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;N-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide;methane

C111H133N13O14S2 — CID 160706598

About 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;N-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide;methane

1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;N-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide;methane (PubChem CID 160706598) has the molecular formula C111H133N13O14S2 and a molecular weight of 1937.50 g/mol. Its IUPAC name is 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;N-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide;methane.

Molecular Properties

• Compound Name: 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;N-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide;methane
• PubChem CID: 160706598
• Molecular Formula: C111H133N13O14S2
• Molecular Weight: 1937.50 g/mol
• Exact Mass: 1935.95
• IUPAC Name: 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;N-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide;methane
• SMILES: C.C.CC(C)(C)OC(=O)NCCCN(Cc1ccc2occc2c1)Cc1ccc2occc2c1.CC(C)CNCC(C)(C)CNS(=O)(=O)c1ccc2occc2c1.CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2occc2c1.Cc1cnc(CNCc2ccc3occc3c2)cn1.c1cc(CNCc2ccc3occc3c2)ccn1.c1cc(NCc2ccc3occc3c2)ccn1
• InChI: InChI=1S/C26H30N2O4.C22H28N2O4S.C17H26N2O3S.C15H15N3O.C15H14N2O.C14H12N2O.2CH4/c1-26(2,3)32-25(29)27-11-4-12-28(17-19-5-7-23-21(15-19)9-13-30-23)18-20-6-8-24-22(16-20)10-14-31-24;1-16(2)14-23-15-21(25)20(12-17-6-4-3-5-7-17)24-29(26,27)19-8-9-22-18(13-19)10-11-28-22;1-13(2)10-18-11-17(3,4)12-19-23(20,21)15-5-6-16-14(9-15)7-8-22-16;1-11-7-18-14(10-17-11)9-16-8-12-2-3-15-13(6-12)4-5-19-15;1-2-15-14(5-8-18-15)9-13(1)11-17-10-12-3-6-16-7-4-12;1-2-14-12(5-8-17-14)9-11(1)10-16-13-3-6-15-7-4-13;;/h5-10,13-16H,4,11-12,17-18H2,1-3H3,(H,27,29);3-11,13,16,20-21,23-25H,12,14-15H2,1-2H3;5-9,13,18-19H,10-12H2,1-4H3;2-7,10,16H,8-9H2,1H3;1-9,17H,10-11H2;1-9H,10H2,(H,15,16);2*1H4/t;20-,21+;;;;;;/m.0....../s1
• InChIKey: RRHQBQIBHAWPLG-ZXEVWAFYSA-N
• XLogP: 22.66
• TPSA: 357.83 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 37
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1937.50
LogP ≤ 5	22.66
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;N-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide;methane?

The IUPAC name of 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;N-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide;methane (CID 160706598) is 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;N-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide;methane.

What is the SMILES notation for 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;N-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide;methane?

The canonical SMILES for 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;N-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide;methane is C.C.CC(C)(C)OC(=O)NCCCN(Cc1ccc2occc2c1)Cc1ccc2occc2c1.CC(C)CNCC(C)(C)CNS(=O)(=O)c1ccc2occc2c1.CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2occc2c1.Cc1cnc(CNCc2ccc3occc3c2)cn1.c1cc(CNCc2ccc3occc3c2)ccn1.c1cc(NCc2ccc3occc3c2)ccn1.

What is the InChIKey of 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;N-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide;methane?

The InChIKey is RRHQBQIBHAWPLG-ZXEVWAFYSA-N. The full InChI is InChI=1S/C26H30N2O4.C22H28N2O4S.C17H26N2O3S.C15H15N3O.C15H14N2O.C14H12N2O.2CH4/c1-26(2,3)32-25(29)27-11-4-12-28(17-19-5-7-23-21(15-19)9-13-30-23)18-20-6-8-24-22(16-20)10-14-31-24;1-16(2)14-23-15-21(25)20(12-17-6-4-3-5-7-17)24-29(26,27)19-8-9-22-18(13-19)10-11-28-22;1-13(2)10-18-11-17(3,4)12-19-23(20,21)15-5-6-16-14(9-15)7-8-22-16;1-11-7-18-14(10-17-11)9-16-8-12-2-3-15-13(6-12)4-5-19-15;1-2-15-14(5-8-18-15)9-13(1)11-17-10-12-3-6-16-7-4-12;1-2-14-12(5-8-17-14)9-11(1)10-16-13-3-6-15-7-4-13;;/h5-10,13-16H,4,11-12,17-18H2,1-3H3,(H,27,29);3-11,13,16,20-21,23-25H,12,14-15H2,1-2H3;5-9,13,18-19H,10-12H2,1-4H3;2-7,10,16H,8-9H2,1H3;1-9,17H,10-11H2;1-9H,10H2,(H,15,16);2*1H4/t;20-,21+;;;;;;/m.0....../s1.

What are the key properties of 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;N-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide;methane?

1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;N-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide;methane has a molecular weight of 1937.50 g/mol, XLogP of 22.66, 37 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;N-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide;methane is sourced from PubChem (CID 160706598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).