(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine

C98H156F2N8O2S — CID 164973661

About (3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine

(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine (PubChem CID 164973661) has the molecular formula C98H156F2N8O2S and a molecular weight of 1548.44 g/mol. Its IUPAC name is (3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine.

Molecular Properties

• Compound Name: (3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine
• PubChem CID: 164973661
• Molecular Formula: C98H156F2N8O2S
• Molecular Weight: 1548.44 g/mol
• Exact Mass: 1547.20
• IUPAC Name: (3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine
• SMILES: CC(C)(C)C1(C(C)(C)C)Cc2cc(F)c(F)cc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Cc2ccccc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Cc2ncccc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Cc2ncsc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Oc2ccccc2[C@H]1N.COc1ccc2c(c1)[C@@H](N)C(C(C)(C)C)(C(C)(C)C)C2
• InChI: InChI=1S/C18H29NO.C17H25F2N.C17H27N.C16H26N2.C16H25NO.C14H24N2S/c1-16(2,3)18(17(4,5)6)11-12-8-9-13(20-7)10-14(12)15(18)19;1-15(2,3)17(16(4,5)6)9-10-7-12(18)13(19)8-11(10)14(17)20;1-15(2,3)17(16(4,5)6)11-12-9-7-8-10-13(12)14(17)18;1-14(2,3)16(15(4,5)6)10-12-11(13(16)17)8-7-9-18-12;1-14(2,3)16(15(4,5)6)13(17)11-9-7-8-10-12(11)18-16;1-12(2,3)14(13(4,5)6)7-9-10(11(14)15)17-8-16-9/h8-10,15H,11,19H2,1-7H3;7-8,14H,9,20H2,1-6H3;7-10,14H,11,18H2,1-6H3;7-9,13H,10,17H2,1-6H3;7-10,13H,17H2,1-6H3;8,11H,7,15H2,1-6H3/t15-;2*14-;2*13-;11-/m111111/s1
• InChIKey: DLVQSLPWPBPLCN-AOKINVNRSA-N
• XLogP: 24.65
• TPSA: 200.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 1
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1548.44
LogP ≤ 5	24.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine?

The IUPAC name of (3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine (CID 164973661) is (3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine.

What is the SMILES notation for (3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine?

The canonical SMILES for (3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine is CC(C)(C)C1(C(C)(C)C)Cc2cc(F)c(F)cc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Cc2ccccc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Cc2ncccc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Cc2ncsc2[C@H]1N.CC(C)(C)C1(C(C)(C)C)Oc2ccccc2[C@H]1N.COc1ccc2c(c1)[C@@H](N)C(C(C)(C)C)(C(C)(C)C)C2.

What is the InChIKey of (3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine?

The InChIKey is DLVQSLPWPBPLCN-AOKINVNRSA-N. The full InChI is InChI=1S/C18H29NO.C17H25F2N.C17H27N.C16H26N2.C16H25NO.C14H24N2S/c1-16(2,3)18(17(4,5)6)11-12-8-9-13(20-7)10-14(12)15(18)19;1-15(2,3)17(16(4,5)6)9-10-7-12(18)13(19)8-11(10)14(17)20;1-15(2,3)17(16(4,5)6)11-12-9-7-8-10-13(12)14(17)18;1-14(2,3)16(15(4,5)6)10-12-11(13(16)17)8-7-9-18-12;1-14(2,3)16(15(4,5)6)13(17)11-9-7-8-10-12(11)18-16;1-12(2,3)14(13(4,5)6)7-9-10(11(14)15)17-8-16-9/h8-10,15H,11,19H2,1-7H3;7-8,14H,9,20H2,1-6H3;7-10,14H,11,18H2,1-6H3;7-9,13H,10,17H2,1-6H3;7-10,13H,17H2,1-6H3;8,11H,7,15H2,1-6H3/t15-;2*14-;2*13-;11-/m111111/s1.

What are the key properties of (3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine?

(3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine has a molecular weight of 1548.44 g/mol, XLogP of 24.65, 1 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-2,2-ditert-butyl-3H-1-benzofuran-3-amine;(1R)-2,2-ditert-butyl-5,6-difluoro-1,3-dihydroinden-1-amine;(5S)-6,6-ditert-butyl-5,7-dihydrocyclopenta[b]pyridin-5-amine;(6S)-5,5-ditert-butyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine;(1R)-2,2-ditert-butyl-1,3-dihydroinden-1-amine;(1R)-2,2-ditert-butyl-6-methoxy-1,3-dihydroinden-1-amine is sourced from PubChem (CID 164973661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).