1-tert-butyl-2-methoxy-7-propan-2-yl-1,3-dihydroisoindole;7-tert-butyl-1-methyl-2,3-dihydro-1H-isoindole;2-(2,2-dimethylpropyl)-4-propan-2-yl-1,3-dihydroisoindole;2-(2,2-dimethylpropyl)-8-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-dihydroisoindole;4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine

C104H149N7O3 — CID 159248796

About 1-tert-butyl-2-methoxy-7-propan-2-yl-1,3-dihydroisoindole;7-tert-butyl-1-methyl-2,3-dihydro-1H-isoindole;2-(2,2-dimethylpropyl)-4-propan-2-yl-1,3-dihydroisoindole;2-(2,2-dimethylpropyl)-8-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-dihydroisoindole;4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine

1-tert-butyl-2-methoxy-7-propan-2-yl-1,3-dihydroisoindole;7-tert-butyl-1-methyl-2,3-dihydro-1H-isoindole;2-(2,2-dimethylpropyl)-4-propan-2-yl-1,3-dihydroisoindole;2-(2,2-dimethylpropyl)-8-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-dihydroisoindole;4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine (PubChem CID 159248796) has the molecular formula C104H149N7O3 and a molecular weight of 1545.38 g/mol. Its IUPAC name is 1-tert-butyl-2-methoxy-7-propan-2-yl-1,3-dihydroisoindole;7-tert-butyl-1-methyl-2,3-dihydro-1H-isoindole;2-(2,2-dimethylpropyl)-4-propan-2-yl-1,3-dihydroisoindole;2-(2,2-dimethylpropyl)-8-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-dihydroisoindole;4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine.

Molecular Properties

• Compound Name: 1-tert-butyl-2-methoxy-7-propan-2-yl-1,3-dihydroisoindole;7-tert-butyl-1-methyl-2,3-dihydro-1H-isoindole;2-(2,2-dimethylpropyl)-4-propan-2-yl-1,3-dihydroisoindole;2-(2,2-dimethylpropyl)-8-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-dihydroisoindole;4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine
• PubChem CID: 159248796
• Molecular Formula: C104H149N7O3
• Molecular Weight: 1545.38 g/mol
• Exact Mass: 1544.17
• IUPAC Name: 1-tert-butyl-2-methoxy-7-propan-2-yl-1,3-dihydroisoindole;7-tert-butyl-1-methyl-2,3-dihydro-1H-isoindole;2-(2,2-dimethylpropyl)-4-propan-2-yl-1,3-dihydroisoindole;2-(2,2-dimethylpropyl)-8-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-dihydroisoindole;4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine
• SMILES: CC(C)c1cccc2c1CCN(Cc1ccc(N3CCOCC3)cc1)C2.CC(C)c1cccc2c1CN(CC(C)(C)C)C2.CC(C)c1cccc2c1CN(CC(C)(C)C)CC2.CC1NCc2cccc(C(C)(C)C)c21.CON1Cc2cccc(C(C)C)c2C1C(C)(C)C.COc1ccc(CN2Cc3cccc(C(C)C)c3C2)cc1
• InChI: InChI=1S/C23H30N2O.C19H23NO.C17H27N.C16H25NO.C16H25N.C13H19N/c1-18(2)22-5-3-4-20-17-24(11-10-23(20)22)16-19-6-8-21(9-7-19)25-12-14-26-15-13-25;1-14(2)18-6-4-5-16-12-20(13-19(16)18)11-15-7-9-17(21-3)10-8-15;1-13(2)15-8-6-7-14-9-10-18(11-16(14)15)12-17(3,4)5;1-11(2)13-9-7-8-12-10-17(18-6)15(14(12)13)16(3,4)5;1-12(2)14-8-6-7-13-9-17(10-15(13)14)11-16(3,4)5;1-9-12-10(8-14-9)6-5-7-11(12)13(2,3)4/h3-9,18H,10-17H2,1-2H3;4-10,14H,11-13H2,1-3H3;6-8,13H,9-12H2,1-5H3;7-9,11,15H,10H2,1-6H3;6-8,12H,9-11H2,1-5H3;5-7,9,14H,8H2,1-4H3
• InChIKey: KVAFJAVNNHHUQC-UHFFFAOYSA-N
• XLogP: 24.35
• TPSA: 59.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1545.38
LogP ≤ 5	24.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methoxy-7-propan-2-yl-1,3-dihydroisoindole;7-tert-butyl-1-methyl-2,3-dihydro-1H-isoindole;2-(2,2-dimethylpropyl)-4-propan-2-yl-1,3-dihydroisoindole;2-(2,2-dimethylpropyl)-8-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-dihydroisoindole;4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine?

The IUPAC name of 1-tert-butyl-2-methoxy-7-propan-2-yl-1,3-dihydroisoindole;7-tert-butyl-1-methyl-2,3-dihydro-1H-isoindole;2-(2,2-dimethylpropyl)-4-propan-2-yl-1,3-dihydroisoindole;2-(2,2-dimethylpropyl)-8-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-dihydroisoindole;4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine (CID 159248796) is 1-tert-butyl-2-methoxy-7-propan-2-yl-1,3-dihydroisoindole;7-tert-butyl-1-methyl-2,3-dihydro-1H-isoindole;2-(2,2-dimethylpropyl)-4-propan-2-yl-1,3-dihydroisoindole;2-(2,2-dimethylpropyl)-8-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-dihydroisoindole;4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine.

What is the SMILES notation for 1-tert-butyl-2-methoxy-7-propan-2-yl-1,3-dihydroisoindole;7-tert-butyl-1-methyl-2,3-dihydro-1H-isoindole;2-(2,2-dimethylpropyl)-4-propan-2-yl-1,3-dihydroisoindole;2-(2,2-dimethylpropyl)-8-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-dihydroisoindole;4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine?

The canonical SMILES for 1-tert-butyl-2-methoxy-7-propan-2-yl-1,3-dihydroisoindole;7-tert-butyl-1-methyl-2,3-dihydro-1H-isoindole;2-(2,2-dimethylpropyl)-4-propan-2-yl-1,3-dihydroisoindole;2-(2,2-dimethylpropyl)-8-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-dihydroisoindole;4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine is CC(C)c1cccc2c1CCN(Cc1ccc(N3CCOCC3)cc1)C2.CC(C)c1cccc2c1CN(CC(C)(C)C)C2.CC(C)c1cccc2c1CN(CC(C)(C)C)CC2.CC1NCc2cccc(C(C)(C)C)c21.CON1Cc2cccc(C(C)C)c2C1C(C)(C)C.COc1ccc(CN2Cc3cccc(C(C)C)c3C2)cc1.

What is the InChIKey of 1-tert-butyl-2-methoxy-7-propan-2-yl-1,3-dihydroisoindole;7-tert-butyl-1-methyl-2,3-dihydro-1H-isoindole;2-(2,2-dimethylpropyl)-4-propan-2-yl-1,3-dihydroisoindole;2-(2,2-dimethylpropyl)-8-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-dihydroisoindole;4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine?

The InChIKey is KVAFJAVNNHHUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O.C19H23NO.C17H27N.C16H25NO.C16H25N.C13H19N/c1-18(2)22-5-3-4-20-17-24(11-10-23(20)22)16-19-6-8-21(9-7-19)25-12-14-26-15-13-25;1-14(2)18-6-4-5-16-12-20(13-19(16)18)11-15-7-9-17(21-3)10-8-15;1-13(2)15-8-6-7-14-9-10-18(11-16(14)15)12-17(3,4)5;1-11(2)13-9-7-8-12-10-17(18-6)15(14(12)13)16(3,4)5;1-12(2)14-8-6-7-13-9-17(10-15(13)14)11-16(3,4)5;1-9-12-10(8-14-9)6-5-7-11(12)13(2,3)4/h3-9,18H,10-17H2,1-2H3;4-10,14H,11-13H2,1-3H3;6-8,13H,9-12H2,1-5H3;7-9,11,15H,10H2,1-6H3;6-8,12H,9-11H2,1-5H3;5-7,9,14H,8H2,1-4H3.

What are the key properties of 1-tert-butyl-2-methoxy-7-propan-2-yl-1,3-dihydroisoindole;7-tert-butyl-1-methyl-2,3-dihydro-1H-isoindole;2-(2,2-dimethylpropyl)-4-propan-2-yl-1,3-dihydroisoindole;2-(2,2-dimethylpropyl)-8-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-dihydroisoindole;4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine?

1-tert-butyl-2-methoxy-7-propan-2-yl-1,3-dihydroisoindole;7-tert-butyl-1-methyl-2,3-dihydro-1H-isoindole;2-(2,2-dimethylpropyl)-4-propan-2-yl-1,3-dihydroisoindole;2-(2,2-dimethylpropyl)-8-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-dihydroisoindole;4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine has a molecular weight of 1545.38 g/mol, XLogP of 24.35, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2-methoxy-7-propan-2-yl-1,3-dihydroisoindole;7-tert-butyl-1-methyl-2,3-dihydro-1H-isoindole;2-(2,2-dimethylpropyl)-4-propan-2-yl-1,3-dihydroisoindole;2-(2,2-dimethylpropyl)-8-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-[(4-methoxyphenyl)methyl]-4-propan-2-yl-1,3-dihydroisoindole;4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine is sourced from PubChem (CID 159248796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).