ethane;2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]ethanamine;8-methyl-6-propa-1,2-dienylquinoline;[[1-(trifluoromethyl)cyclopropyl]amino]methanol

C37H44F4N4O2 — CID 165395568

About ethane;2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]ethanamine;8-methyl-6-propa-1,2-dienylquinoline;[[1-(trifluoromethyl)cyclopropyl]amino]methanol

ethane;2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]ethanamine;8-methyl-6-propa-1,2-dienylquinoline;[[1-(trifluoromethyl)cyclopropyl]amino]methanol (PubChem CID 165395568) has the molecular formula C37H44F4N4O2 and a molecular weight of 652.78 g/mol. Its IUPAC name is ethane;2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]ethanamine;8-methyl-6-propa-1,2-dienylquinoline;[[1-(trifluoromethyl)cyclopropyl]amino]methanol.

Molecular Properties

• Compound Name: ethane;2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]ethanamine;8-methyl-6-propa-1,2-dienylquinoline;[[1-(trifluoromethyl)cyclopropyl]amino]methanol
• PubChem CID: 165395568
• Molecular Formula: C37H44F4N4O2
• Molecular Weight: 652.78 g/mol
• Exact Mass: 652.34
• IUPAC Name: ethane;2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]ethanamine;8-methyl-6-propa-1,2-dienylquinoline;[[1-(trifluoromethyl)cyclopropyl]amino]methanol
• SMILES: C=C=Cc1cc(C)c2ncccc2c1.CC.CC1(C)COc2c1cc(CCN)nc2-c1ccc(F)cc1.OCNC1(C(F)(F)F)CC1
• InChI: InChI=1S/C17H19FN2O.C13H11N.C5H8F3NO.C2H6/c1-17(2)10-21-16-14(17)9-13(7-8-19)20-15(16)11-3-5-12(18)6-4-11;1-3-5-11-8-10(2)13-12(9-11)6-4-7-14-13;6-5(7,8)4(1-2-4)9-3-10;1-2/h3-6,9H,7-8,10,19H2,1-2H3;4-9H,1H2,2H3;9-10H,1-3H2;1-2H3
• InChIKey: VDXQWANYKBHERM-UHFFFAOYSA-N
• XLogP: 8.05
• TPSA: 93.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.78
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]ethanamine;8-methyl-6-propa-1,2-dienylquinoline;[[1-(trifluoromethyl)cyclopropyl]amino]methanol?

The IUPAC name of ethane;2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]ethanamine;8-methyl-6-propa-1,2-dienylquinoline;[[1-(trifluoromethyl)cyclopropyl]amino]methanol (CID 165395568) is ethane;2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]ethanamine;8-methyl-6-propa-1,2-dienylquinoline;[[1-(trifluoromethyl)cyclopropyl]amino]methanol.

What is the SMILES notation for ethane;2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]ethanamine;8-methyl-6-propa-1,2-dienylquinoline;[[1-(trifluoromethyl)cyclopropyl]amino]methanol?

The canonical SMILES for ethane;2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]ethanamine;8-methyl-6-propa-1,2-dienylquinoline;[[1-(trifluoromethyl)cyclopropyl]amino]methanol is C=C=Cc1cc(C)c2ncccc2c1.CC.CC1(C)COc2c1cc(CCN)nc2-c1ccc(F)cc1.OCNC1(C(F)(F)F)CC1.

What is the InChIKey of ethane;2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]ethanamine;8-methyl-6-propa-1,2-dienylquinoline;[[1-(trifluoromethyl)cyclopropyl]amino]methanol?

The InChIKey is VDXQWANYKBHERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O.C13H11N.C5H8F3NO.C2H6/c1-17(2)10-21-16-14(17)9-13(7-8-19)20-15(16)11-3-5-12(18)6-4-11;1-3-5-11-8-10(2)13-12(9-11)6-4-7-14-13;6-5(7,8)4(1-2-4)9-3-10;1-2/h3-6,9H,7-8,10,19H2,1-2H3;4-9H,1H2,2H3;9-10H,1-3H2;1-2H3.

What are the key properties of ethane;2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]ethanamine;8-methyl-6-propa-1,2-dienylquinoline;[[1-(trifluoromethyl)cyclopropyl]amino]methanol?

ethane;2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]ethanamine;8-methyl-6-propa-1,2-dienylquinoline;[[1-(trifluoromethyl)cyclopropyl]amino]methanol has a molecular weight of 652.78 g/mol, XLogP of 8.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[7-(4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]ethanamine;8-methyl-6-propa-1,2-dienylquinoline;[[1-(trifluoromethyl)cyclopropyl]amino]methanol is sourced from PubChem (CID 165395568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).