2-(3,4-dimethoxyphenyl)ethanamine;6-(3,4-dimethoxyphenyl)-1-(1H-indol-3-yl)hexan-3-one;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;3-(1H-indol-3-yl)propanoic acid;methane

C108H125N9O14 — CID 158491537

About 2-(3,4-dimethoxyphenyl)ethanamine;6-(3,4-dimethoxyphenyl)-1-(1H-indol-3-yl)hexan-3-one;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;3-(1H-indol-3-yl)propanoic acid;methane

2-(3,4-dimethoxyphenyl)ethanamine;6-(3,4-dimethoxyphenyl)-1-(1H-indol-3-yl)hexan-3-one;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;3-(1H-indol-3-yl)propanoic acid;methane (PubChem CID 158491537) has the molecular formula C108H125N9O14 and a molecular weight of 1773.24 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)ethanamine;6-(3,4-dimethoxyphenyl)-1-(1H-indol-3-yl)hexan-3-one;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;3-(1H-indol-3-yl)propanoic acid;methane.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)ethanamine;6-(3,4-dimethoxyphenyl)-1-(1H-indol-3-yl)hexan-3-one;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;3-(1H-indol-3-yl)propanoic acid;methane
• PubChem CID: 158491537
• Molecular Formula: C108H125N9O14
• Molecular Weight: 1773.24 g/mol
• Exact Mass: 1771.93
• IUPAC Name: 2-(3,4-dimethoxyphenyl)ethanamine;6-(3,4-dimethoxyphenyl)-1-(1H-indol-3-yl)hexan-3-one;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;3-(1H-indol-3-yl)propanoic acid;methane
• SMILES: C.COc1cc2c(cc1OC)C(CCc1c[nH]c3ccccc13)=NCC2.COc1cc2c(cc1OC)C(CCc1c[nH]c3ccccc13)N(C=O)CC2.COc1cc2c(cc1OC)C(CCc1c[nH]c3ccccc13)NCC2.COc1ccc(CCCC(=O)CCc2c[nH]c3ccccc23)cc1OC.COc1ccc(CCN)cc1OC.O=C(O)CCc1c[nH]c2ccccc12
• InChI: InChI=1S/C22H24N2O3.C22H25NO3.C21H24N2O2.C21H22N2O2.C11H11NO2.C10H15NO2.CH4/c1-26-21-11-15-9-10-24(14-25)20(18(15)12-22(21)27-2)8-7-16-13-23-19-6-4-3-5-17(16)19;1-25-21-13-10-16(14-22(21)26-2)6-5-7-18(24)12-11-17-15-23-20-9-4-3-8-19(17)20;2*1-24-20-11-14-9-10-22-19(17(14)12-21(20)25-2)8-7-15-13-23-18-6-4-3-5-16(15)18;13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10;1-12-9-4-3-8(5-6-11)7-10(9)13-2;/h3-6,11-14,20,23H,7-10H2,1-2H3;3-4,8-10,13-15,23H,5-7,11-12H2,1-2H3;3-6,11-13,19,22-23H,7-10H2,1-2H3;3-6,11-13,23H,7-10H2,1-2H3;1-4,7,12H,5-6H2,(H,13,14);3-4,7H,5-6,11H2,1-2H3;1H4
• InChIKey: HITHMXOFQLCCNO-UHFFFAOYSA-N
• XLogP: 20.78
• TPSA: 296.34 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 32
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1773.24
LogP ≤ 5	20.78
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)ethanamine;6-(3,4-dimethoxyphenyl)-1-(1H-indol-3-yl)hexan-3-one;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;3-(1H-indol-3-yl)propanoic acid;methane?

The IUPAC name of 2-(3,4-dimethoxyphenyl)ethanamine;6-(3,4-dimethoxyphenyl)-1-(1H-indol-3-yl)hexan-3-one;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;3-(1H-indol-3-yl)propanoic acid;methane (CID 158491537) is 2-(3,4-dimethoxyphenyl)ethanamine;6-(3,4-dimethoxyphenyl)-1-(1H-indol-3-yl)hexan-3-one;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;3-(1H-indol-3-yl)propanoic acid;methane.

What is the SMILES notation for 2-(3,4-dimethoxyphenyl)ethanamine;6-(3,4-dimethoxyphenyl)-1-(1H-indol-3-yl)hexan-3-one;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;3-(1H-indol-3-yl)propanoic acid;methane?

The canonical SMILES for 2-(3,4-dimethoxyphenyl)ethanamine;6-(3,4-dimethoxyphenyl)-1-(1H-indol-3-yl)hexan-3-one;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;3-(1H-indol-3-yl)propanoic acid;methane is C.COc1cc2c(cc1OC)C(CCc1c[nH]c3ccccc13)=NCC2.COc1cc2c(cc1OC)C(CCc1c[nH]c3ccccc13)N(C=O)CC2.COc1cc2c(cc1OC)C(CCc1c[nH]c3ccccc13)NCC2.COc1ccc(CCCC(=O)CCc2c[nH]c3ccccc23)cc1OC.COc1ccc(CCN)cc1OC.O=C(O)CCc1c[nH]c2ccccc12.

What is the InChIKey of 2-(3,4-dimethoxyphenyl)ethanamine;6-(3,4-dimethoxyphenyl)-1-(1H-indol-3-yl)hexan-3-one;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;3-(1H-indol-3-yl)propanoic acid;methane?

The InChIKey is HITHMXOFQLCCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3.C22H25NO3.C21H24N2O2.C21H22N2O2.C11H11NO2.C10H15NO2.CH4/c1-26-21-11-15-9-10-24(14-25)20(18(15)12-22(21)27-2)8-7-16-13-23-19-6-4-3-5-17(16)19;1-25-21-13-10-16(14-22(21)26-2)6-5-7-18(24)12-11-17-15-23-20-9-4-3-8-19(17)20;2*1-24-20-11-14-9-10-22-19(17(14)12-21(20)25-2)8-7-15-13-23-18-6-4-3-5-16(15)18;13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10;1-12-9-4-3-8(5-6-11)7-10(9)13-2;/h3-6,11-14,20,23H,7-10H2,1-2H3;3-4,8-10,13-15,23H,5-7,11-12H2,1-2H3;3-6,11-13,19,22-23H,7-10H2,1-2H3;3-6,11-13,23H,7-10H2,1-2H3;1-4,7,12H,5-6H2,(H,13,14);3-4,7H,5-6,11H2,1-2H3;1H4.

What are the key properties of 2-(3,4-dimethoxyphenyl)ethanamine;6-(3,4-dimethoxyphenyl)-1-(1H-indol-3-yl)hexan-3-one;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;3-(1H-indol-3-yl)propanoic acid;methane?

2-(3,4-dimethoxyphenyl)ethanamine;6-(3,4-dimethoxyphenyl)-1-(1H-indol-3-yl)hexan-3-one;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;3-(1H-indol-3-yl)propanoic acid;methane has a molecular weight of 1773.24 g/mol, XLogP of 20.78, 32 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)ethanamine;6-(3,4-dimethoxyphenyl)-1-(1H-indol-3-yl)hexan-3-one;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde;1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;3-(1H-indol-3-yl)propanoic acid;methane is sourced from PubChem (CID 158491537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).