2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide

C32H35F5N4O3 — CID 156872755

About 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide

2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide (PubChem CID 156872755) has the molecular formula C32H35F5N4O3 and a molecular weight of 618.65 g/mol. Its IUPAC name is 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide.

Molecular Properties

• Compound Name: 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide
• PubChem CID: 156872755
• Molecular Formula: C32H35F5N4O3
• Molecular Weight: 618.65 g/mol
• Exact Mass: 618.26
• IUPAC Name: 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide
• SMILES: C/C(N)=C/c1cc(C)cc(OC2CC2)c1N.CC1(CF)COc2c1cc(C(CNC=O)C(F)(F)F)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C19H17F5N2O2.C13H18N2O/c1-18(8-20)9-28-17-13(18)6-15(14(7-25-10-27)19(22,23)24)26-16(17)11-2-4-12(21)5-3-11;1-8-5-10(7-9(2)14)13(15)12(6-8)16-11-3-4-11/h2-6,10,14H,7-9H2,1H3,(H,25,27);5-7,11H,3-4,14-15H2,1-2H3/b;9-7-
• InChIKey: MSKLRLWLBXQCCJ-QFWHIOIXSA-N
• XLogP: 6.34
• TPSA: 112.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.65
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide?

The IUPAC name of 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide (CID 156872755) is 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide.

What is the SMILES notation for 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide?

The canonical SMILES for 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide is C/C(N)=C/c1cc(C)cc(OC2CC2)c1N.CC1(CF)COc2c1cc(C(CNC=O)C(F)(F)F)nc2-c1ccc(F)cc1.

What is the InChIKey of 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide?

The InChIKey is MSKLRLWLBXQCCJ-QFWHIOIXSA-N. The full InChI is InChI=1S/C19H17F5N2O2.C13H18N2O/c1-18(8-20)9-28-17-13(18)6-15(14(7-25-10-27)19(22,23)24)26-16(17)11-2-4-12(21)5-3-11;1-8-5-10(7-9(2)14)13(15)12(6-8)16-11-3-4-11/h2-6,10,14H,7-9H2,1H3,(H,25,27);5-7,11H,3-4,14-15H2,1-2H3/b;9-7-.

What are the key properties of 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide?

2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide has a molecular weight of 618.65 g/mol, XLogP of 6.34, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-2-aminoprop-1-enyl]-6-cyclopropyloxy-4-methylaniline;N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]propyl]formamide is sourced from PubChem (CID 156872755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).