6-tert-butyl-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;6-tert-butyl-7-fluoro-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-tert-butylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane];7-tert-butylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline

C128H187F2N9 — CID 165014478

About 6-tert-butyl-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;6-tert-butyl-7-fluoro-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-tert-butylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane];7-tert-butylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline

6-tert-butyl-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;6-tert-butyl-7-fluoro-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-tert-butylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane];7-tert-butylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 165014478) has the molecular formula C128H187F2N9 and a molecular weight of 1889.96 g/mol. Its IUPAC name is 6-tert-butyl-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;6-tert-butyl-7-fluoro-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-tert-butylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane];7-tert-butylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

• Compound Name: 6-tert-butyl-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;6-tert-butyl-7-fluoro-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-tert-butylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane];7-tert-butylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline
• PubChem CID: 165014478
• Molecular Formula: C128H187F2N9
• Molecular Weight: 1889.96 g/mol
• Exact Mass: 1888.49
• IUPAC Name: 6-tert-butyl-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;6-tert-butyl-7-fluoro-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-tert-butylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane];7-tert-butylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline
• SMILES: CC(C)(C)c1cc2c(cc1F)CCNC2.CC(C)(C)c1cc2c(cc1F)CNCC2.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2c(c1)CCNC2(C)C.CC(C)(C)c1ccc2c(c1)CCNC21CC1.CC(C)(C)c1ccc2c(c1)CNCC2.CC(C)(C)c1ccc2c(c1)CNCC2(C)C.CC(C)(C)c1ccc2c(c1)CNCC21CC1.CC(C)N1CCc2cc(C(C)(C)C)ccc2C1
• InChI: InChI=1S/C16H25N.2C15H21N.2C15H23N.2C13H18FN.2C13H19N/c1-12(2)17-9-8-13-10-15(16(3,4)5)7-6-14(13)11-17;1-14(2,3)12-4-5-13-11(10-12)6-9-16-15(13)7-8-15;1-14(2,3)12-4-5-13-11(8-12)9-16-10-15(13)6-7-15;1-14(2,3)12-6-7-13-11(8-12)9-16-10-15(13,4)5;1-14(2,3)12-6-7-13-11(10-12)8-9-16-15(13,4)5;1-13(2,3)11-6-10-8-15-5-4-9(10)7-12(11)14;1-13(2,3)11-6-9-4-5-15-8-10(9)7-12(11)14;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12/h6-7,10,12H,8-9,11H2,1-5H3;4-5,10,16H,6-9H2,1-3H3;4-5,8,16H,6-7,9-10H2,1-3H3;6-8,16H,9-10H2,1-5H3;6-7,10,16H,8-9H2,1-5H3;2*6-7,15H,4-5,8H2,1-3H3;2*4-5,8,14H,6-7,9H2,1-3H3
• InChIKey: KFCCRBYWPBTMNE-UHFFFAOYSA-N
• XLogP: 27.52
• TPSA: 99.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 1
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1889.96
LogP ≤ 5	27.52
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;6-tert-butyl-7-fluoro-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-tert-butylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane];7-tert-butylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline?

The IUPAC name of 6-tert-butyl-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;6-tert-butyl-7-fluoro-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-tert-butylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane];7-tert-butylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline (CID 165014478) is 6-tert-butyl-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;6-tert-butyl-7-fluoro-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-tert-butylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane];7-tert-butylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline.

What is the SMILES notation for 6-tert-butyl-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;6-tert-butyl-7-fluoro-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-tert-butylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane];7-tert-butylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline?

The canonical SMILES for 6-tert-butyl-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;6-tert-butyl-7-fluoro-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-tert-butylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane];7-tert-butylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline is CC(C)(C)c1cc2c(cc1F)CCNC2.CC(C)(C)c1cc2c(cc1F)CNCC2.CC(C)(C)c1ccc2c(c1)CCNC2.CC(C)(C)c1ccc2c(c1)CCNC2(C)C.CC(C)(C)c1ccc2c(c1)CCNC21CC1.CC(C)(C)c1ccc2c(c1)CNCC2.CC(C)(C)c1ccc2c(c1)CNCC2(C)C.CC(C)(C)c1ccc2c(c1)CNCC21CC1.CC(C)N1CCc2cc(C(C)(C)C)ccc2C1.

What is the InChIKey of 6-tert-butyl-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;6-tert-butyl-7-fluoro-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-tert-butylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane];7-tert-butylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline?

The InChIKey is KFCCRBYWPBTMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N.2C15H21N.2C15H23N.2C13H18FN.2C13H19N/c1-12(2)17-9-8-13-10-15(16(3,4)5)7-6-14(13)11-17;1-14(2,3)12-4-5-13-11(10-12)6-9-16-15(13)7-8-15;1-14(2,3)12-4-5-13-11(8-12)9-16-10-15(13)6-7-15;1-14(2,3)12-6-7-13-11(8-12)9-16-10-15(13,4)5;1-14(2,3)12-6-7-13-11(10-12)8-9-16-15(13,4)5;1-13(2,3)11-6-10-8-15-5-4-9(10)7-12(11)14;1-13(2,3)11-6-9-4-5-15-8-10(9)7-12(11)14;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12/h6-7,10,12H,8-9,11H2,1-5H3;4-5,10,16H,6-9H2,1-3H3;4-5,8,16H,6-7,9-10H2,1-3H3;6-8,16H,9-10H2,1-5H3;6-7,10,16H,8-9H2,1-5H3;2*6-7,15H,4-5,8H2,1-3H3;2*4-5,8,14H,6-7,9H2,1-3H3.

What are the key properties of 6-tert-butyl-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;6-tert-butyl-7-fluoro-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-tert-butylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane];7-tert-butylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline?

6-tert-butyl-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;6-tert-butyl-7-fluoro-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-tert-butylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane];7-tert-butylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 1889.96 g/mol, XLogP of 27.52, 1 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-1,1-dimethyl-3,4-dihydro-2H-isoquinoline;7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-isoquinoline;6-tert-butyl-7-fluoro-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-tert-butylspiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane];7-tert-butylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;7-tert-butyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 165014478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).