8-bromo-1,2,3,4-tetrahydroquinolin-7-amine;8-tert-butyl-1,2,3,4-tetrahydroquinolin-7-amine;8-chloro-1,2,3,4-tetrahydroquinolin-7-amine;8-ethyl-1,2,3,4-tetrahydroquinolin-7-amine;8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine;8-methyl-1,2,3,4-tetrahydroquinolin-7-amine;1,2,3,4,7,8,9,10-octahydro-1,7-phenanthroline;8-propan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine

C86H120BrClN16O — CID 161171811

About 8-bromo-1,2,3,4-tetrahydroquinolin-7-amine;8-tert-butyl-1,2,3,4-tetrahydroquinolin-7-amine;8-chloro-1,2,3,4-tetrahydroquinolin-7-amine;8-ethyl-1,2,3,4-tetrahydroquinolin-7-amine;8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine;8-methyl-1,2,3,4-tetrahydroquinolin-7-amine;1,2,3,4,7,8,9,10-octahydro-1,7-phenanthroline;8-propan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine

8-bromo-1,2,3,4-tetrahydroquinolin-7-amine;8-tert-butyl-1,2,3,4-tetrahydroquinolin-7-amine;8-chloro-1,2,3,4-tetrahydroquinolin-7-amine;8-ethyl-1,2,3,4-tetrahydroquinolin-7-amine;8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine;8-methyl-1,2,3,4-tetrahydroquinolin-7-amine;1,2,3,4,7,8,9,10-octahydro-1,7-phenanthroline;8-propan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine (PubChem CID 161171811) has the molecular formula C86H120BrClN16O and a molecular weight of 1509.37 g/mol. Its IUPAC name is 8-bromo-1,2,3,4-tetrahydroquinolin-7-amine;8-tert-butyl-1,2,3,4-tetrahydroquinolin-7-amine;8-chloro-1,2,3,4-tetrahydroquinolin-7-amine;8-ethyl-1,2,3,4-tetrahydroquinolin-7-amine;8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine;8-methyl-1,2,3,4-tetrahydroquinolin-7-amine;1,2,3,4,7,8,9,10-octahydro-1,7-phenanthroline;8-propan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine.

Molecular Properties

• Compound Name: 8-bromo-1,2,3,4-tetrahydroquinolin-7-amine;8-tert-butyl-1,2,3,4-tetrahydroquinolin-7-amine;8-chloro-1,2,3,4-tetrahydroquinolin-7-amine;8-ethyl-1,2,3,4-tetrahydroquinolin-7-amine;8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine;8-methyl-1,2,3,4-tetrahydroquinolin-7-amine;1,2,3,4,7,8,9,10-octahydro-1,7-phenanthroline;8-propan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine
• PubChem CID: 161171811
• Molecular Formula: C86H120BrClN16O
• Molecular Weight: 1509.37 g/mol
• Exact Mass: 1506.87
• IUPAC Name: 8-bromo-1,2,3,4-tetrahydroquinolin-7-amine;8-tert-butyl-1,2,3,4-tetrahydroquinolin-7-amine;8-chloro-1,2,3,4-tetrahydroquinolin-7-amine;8-ethyl-1,2,3,4-tetrahydroquinolin-7-amine;8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine;8-methyl-1,2,3,4-tetrahydroquinolin-7-amine;1,2,3,4,7,8,9,10-octahydro-1,7-phenanthroline;8-propan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine
• SMILES: CC(C)(C)c1c(N)ccc2c1NCCC2.CC(C)c1c(N)ccc2c1NCCC2.CCc1c(N)ccc2c1NCCC2.COc1c(N)ccc2c1NCCC2.Cc1c(N)ccc2c1NCCC2.Nc1ccc2c(c1Br)NCCC2.Nc1ccc2c(c1Cl)NCCC2.c1cc2c(c3c1CCCN3)CCCN2
• InChI: InChI=1S/C13H20N2.C12H16N2.C12H18N2.C11H16N2.C10H14N2O.C10H14N2.C9H11BrN2.C9H11ClN2/c1-13(2,3)11-10(14)7-6-9-5-4-8-15-12(9)11;1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-8(2)11-10(13)6-5-9-4-3-7-14-12(9)11;1-2-9-10(12)6-5-8-4-3-7-13-11(8)9;1-13-10-8(11)5-4-7-3-2-6-12-9(7)10;1-7-9(11)5-4-8-3-2-6-12-10(7)8;2*10-8-7(11)4-3-6-2-1-5-12-9(6)8/h6-7,15H,4-5,8,14H2,1-3H3;5-6,13-14H,1-4,7-8H2;5-6,8,14H,3-4,7,13H2,1-2H3;5-6,13H,2-4,7,12H2,1H3;4-5,12H,2-3,6,11H2,1H3;4-5,12H,2-3,6,11H2,1H3;2*3-4,12H,1-2,5,11H2
• InChIKey: URGYEAYAQLAPMA-UHFFFAOYSA-N
• XLogP: 18.51
• TPSA: 299.64 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 17
• Rotatable Bonds: 3
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1509.37
LogP ≤ 5	18.51
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,2,3,4-tetrahydroquinolin-7-amine;8-tert-butyl-1,2,3,4-tetrahydroquinolin-7-amine;8-chloro-1,2,3,4-tetrahydroquinolin-7-amine;8-ethyl-1,2,3,4-tetrahydroquinolin-7-amine;8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine;8-methyl-1,2,3,4-tetrahydroquinolin-7-amine;1,2,3,4,7,8,9,10-octahydro-1,7-phenanthroline;8-propan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine?

The IUPAC name of 8-bromo-1,2,3,4-tetrahydroquinolin-7-amine;8-tert-butyl-1,2,3,4-tetrahydroquinolin-7-amine;8-chloro-1,2,3,4-tetrahydroquinolin-7-amine;8-ethyl-1,2,3,4-tetrahydroquinolin-7-amine;8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine;8-methyl-1,2,3,4-tetrahydroquinolin-7-amine;1,2,3,4,7,8,9,10-octahydro-1,7-phenanthroline;8-propan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine (CID 161171811) is 8-bromo-1,2,3,4-tetrahydroquinolin-7-amine;8-tert-butyl-1,2,3,4-tetrahydroquinolin-7-amine;8-chloro-1,2,3,4-tetrahydroquinolin-7-amine;8-ethyl-1,2,3,4-tetrahydroquinolin-7-amine;8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine;8-methyl-1,2,3,4-tetrahydroquinolin-7-amine;1,2,3,4,7,8,9,10-octahydro-1,7-phenanthroline;8-propan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine.

What is the SMILES notation for 8-bromo-1,2,3,4-tetrahydroquinolin-7-amine;8-tert-butyl-1,2,3,4-tetrahydroquinolin-7-amine;8-chloro-1,2,3,4-tetrahydroquinolin-7-amine;8-ethyl-1,2,3,4-tetrahydroquinolin-7-amine;8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine;8-methyl-1,2,3,4-tetrahydroquinolin-7-amine;1,2,3,4,7,8,9,10-octahydro-1,7-phenanthroline;8-propan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine?

The canonical SMILES for 8-bromo-1,2,3,4-tetrahydroquinolin-7-amine;8-tert-butyl-1,2,3,4-tetrahydroquinolin-7-amine;8-chloro-1,2,3,4-tetrahydroquinolin-7-amine;8-ethyl-1,2,3,4-tetrahydroquinolin-7-amine;8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine;8-methyl-1,2,3,4-tetrahydroquinolin-7-amine;1,2,3,4,7,8,9,10-octahydro-1,7-phenanthroline;8-propan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine is CC(C)(C)c1c(N)ccc2c1NCCC2.CC(C)c1c(N)ccc2c1NCCC2.CCc1c(N)ccc2c1NCCC2.COc1c(N)ccc2c1NCCC2.Cc1c(N)ccc2c1NCCC2.Nc1ccc2c(c1Br)NCCC2.Nc1ccc2c(c1Cl)NCCC2.c1cc2c(c3c1CCCN3)CCCN2.

What is the InChIKey of 8-bromo-1,2,3,4-tetrahydroquinolin-7-amine;8-tert-butyl-1,2,3,4-tetrahydroquinolin-7-amine;8-chloro-1,2,3,4-tetrahydroquinolin-7-amine;8-ethyl-1,2,3,4-tetrahydroquinolin-7-amine;8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine;8-methyl-1,2,3,4-tetrahydroquinolin-7-amine;1,2,3,4,7,8,9,10-octahydro-1,7-phenanthroline;8-propan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine?

The InChIKey is URGYEAYAQLAPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.C12H16N2.C12H18N2.C11H16N2.C10H14N2O.C10H14N2.C9H11BrN2.C9H11ClN2/c1-13(2,3)11-10(14)7-6-9-5-4-8-15-12(9)11;1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-8(2)11-10(13)6-5-9-4-3-7-14-12(9)11;1-2-9-10(12)6-5-8-4-3-7-13-11(8)9;1-13-10-8(11)5-4-7-3-2-6-12-9(7)10;1-7-9(11)5-4-8-3-2-6-12-10(7)8;2*10-8-7(11)4-3-6-2-1-5-12-9(6)8/h6-7,15H,4-5,8,14H2,1-3H3;5-6,13-14H,1-4,7-8H2;5-6,8,14H,3-4,7,13H2,1-2H3;5-6,13H,2-4,7,12H2,1H3;4-5,12H,2-3,6,11H2,1H3;4-5,12H,2-3,6,11H2,1H3;2*3-4,12H,1-2,5,11H2.

What are the key properties of 8-bromo-1,2,3,4-tetrahydroquinolin-7-amine;8-tert-butyl-1,2,3,4-tetrahydroquinolin-7-amine;8-chloro-1,2,3,4-tetrahydroquinolin-7-amine;8-ethyl-1,2,3,4-tetrahydroquinolin-7-amine;8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine;8-methyl-1,2,3,4-tetrahydroquinolin-7-amine;1,2,3,4,7,8,9,10-octahydro-1,7-phenanthroline;8-propan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine?

8-bromo-1,2,3,4-tetrahydroquinolin-7-amine;8-tert-butyl-1,2,3,4-tetrahydroquinolin-7-amine;8-chloro-1,2,3,4-tetrahydroquinolin-7-amine;8-ethyl-1,2,3,4-tetrahydroquinolin-7-amine;8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine;8-methyl-1,2,3,4-tetrahydroquinolin-7-amine;1,2,3,4,7,8,9,10-octahydro-1,7-phenanthroline;8-propan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine has a molecular weight of 1509.37 g/mol, XLogP of 18.51, 3 rotatable bonds, 16 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-1,2,3,4-tetrahydroquinolin-7-amine;8-tert-butyl-1,2,3,4-tetrahydroquinolin-7-amine;8-chloro-1,2,3,4-tetrahydroquinolin-7-amine;8-ethyl-1,2,3,4-tetrahydroquinolin-7-amine;8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine;8-methyl-1,2,3,4-tetrahydroquinolin-7-amine;1,2,3,4,7,8,9,10-octahydro-1,7-phenanthroline;8-propan-2-yl-1,2,3,4-tetrahydroquinolin-7-amine is sourced from PubChem (CID 161171811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).