2-(cyclopropyliminomethyl)-6-methoxy-4-[2-[3-methyl-7-(3-propylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]aniline

C30H35N3O2 — CID 164910973

About 2-(cyclopropyliminomethyl)-6-methoxy-4-[2-[3-methyl-7-(3-propylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]aniline

2-(cyclopropyliminomethyl)-6-methoxy-4-[2-[3-methyl-7-(3-propylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]aniline (PubChem CID 164910973) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 2-(cyclopropyliminomethyl)-6-methoxy-4-[2-[3-methyl-7-(3-propylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]aniline.

Molecular Properties

• Compound Name: 2-(cyclopropyliminomethyl)-6-methoxy-4-[2-[3-methyl-7-(3-propylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]aniline
• PubChem CID: 164910973
• Molecular Formula: C30H35N3O2
• Molecular Weight: 469.63 g/mol
• Exact Mass: 469.27
• IUPAC Name: 2-(cyclopropyliminomethyl)-6-methoxy-4-[2-[3-methyl-7-(3-propylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]aniline
• SMILES: CCCc1cccc(-c2nc(CCc3cc(/C=N/C4CC4)c(N)c(OC)c3)cc3c2OCC3C)c1
• InChI: InChI=1S/C30H35N3O2/c1-4-6-20-7-5-8-22(13-20)29-30-26(19(2)18-35-30)16-25(33-29)10-9-21-14-23(17-32-24-11-12-24)28(31)27(15-21)34-3/h5,7-8,13-17,19,24H,4,6,9-12,18,31H2,1-3H3/b32-17+
• InChIKey: DMXNUBACGOWQMN-VTNSRFBWSA-N
• XLogP: 6.15
• TPSA: 69.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.63
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropyliminomethyl)-6-methoxy-4-[2-[3-methyl-7-(3-propylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]aniline?

The IUPAC name of 2-(cyclopropyliminomethyl)-6-methoxy-4-[2-[3-methyl-7-(3-propylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]aniline (CID 164910973) is 2-(cyclopropyliminomethyl)-6-methoxy-4-[2-[3-methyl-7-(3-propylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]aniline.

What is the SMILES notation for 2-(cyclopropyliminomethyl)-6-methoxy-4-[2-[3-methyl-7-(3-propylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]aniline?

The canonical SMILES for 2-(cyclopropyliminomethyl)-6-methoxy-4-[2-[3-methyl-7-(3-propylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]aniline is CCCc1cccc(-c2nc(CCc3cc(/C=N/C4CC4)c(N)c(OC)c3)cc3c2OCC3C)c1.

What is the InChIKey of 2-(cyclopropyliminomethyl)-6-methoxy-4-[2-[3-methyl-7-(3-propylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]aniline?

The InChIKey is DMXNUBACGOWQMN-VTNSRFBWSA-N. The full InChI is InChI=1S/C30H35N3O2/c1-4-6-20-7-5-8-22(13-20)29-30-26(19(2)18-35-30)16-25(33-29)10-9-21-14-23(17-32-24-11-12-24)28(31)27(15-21)34-3/h5,7-8,13-17,19,24H,4,6,9-12,18,31H2,1-3H3/b32-17+.

What are the key properties of 2-(cyclopropyliminomethyl)-6-methoxy-4-[2-[3-methyl-7-(3-propylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]aniline?

2-(cyclopropyliminomethyl)-6-methoxy-4-[2-[3-methyl-7-(3-propylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]aniline has a molecular weight of 469.63 g/mol, XLogP of 6.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropyliminomethyl)-6-methoxy-4-[2-[3-methyl-7-(3-propylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]ethyl]aniline is sourced from PubChem (CID 164910973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).