1-(2-methoxyphenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]methanamine

C25H25N3O — CID 29147846

About 1-(2-methoxyphenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]methanamine

1-(2-methoxyphenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]methanamine (PubChem CID 29147846) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]methanamine.

Molecular Properties

• Compound Name: 1-(2-methoxyphenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]methanamine
• PubChem CID: 29147846
• Molecular Formula: C25H25N3O
• Molecular Weight: 383.50 g/mol
• Exact Mass: 383.20
• IUPAC Name: 1-(2-methoxyphenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]methanamine
• SMILES: COc1ccccc1CN/N=C\c1cn(Cc2ccccc2C)c2ccccc12
• InChI: InChI=1S/C25H25N3O/c1-19-9-3-4-11-21(19)17-28-18-22(23-12-6-7-13-24(23)28)16-27-26-15-20-10-5-8-14-25(20)29-2/h3-14,16,18,26H,15,17H2,1-2H3/b27-16-
• InChIKey: IIACHBIUPPHVHI-YUMHPJSZSA-N
• XLogP: 5.13
• TPSA: 38.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.50
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]methanamine?

The IUPAC name of 1-(2-methoxyphenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]methanamine (CID 29147846) is 1-(2-methoxyphenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]methanamine.

What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]methanamine?

The canonical SMILES for 1-(2-methoxyphenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]methanamine is COc1ccccc1CN/N=C\c1cn(Cc2ccccc2C)c2ccccc12.

What is the InChIKey of 1-(2-methoxyphenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]methanamine?

The InChIKey is IIACHBIUPPHVHI-YUMHPJSZSA-N. The full InChI is InChI=1S/C25H25N3O/c1-19-9-3-4-11-21(19)17-28-18-22(23-12-6-7-13-24(23)28)16-27-26-15-20-10-5-8-14-25(20)29-2/h3-14,16,18,26H,15,17H2,1-2H3/b27-16-.

What are the key properties of 1-(2-methoxyphenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]methanamine?

1-(2-methoxyphenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]methanamine has a molecular weight of 383.50 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxyphenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]methanamine is sourced from PubChem (CID 29147846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).