10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

C29H34N4O2 — CID 22178105

About 10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (PubChem CID 22178105) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.

Molecular Properties

• Compound Name: 10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
• PubChem CID: 22178105
• Molecular Formula: C29H34N4O2
• Molecular Weight: 470.62 g/mol
• Exact Mass: 470.27
• IUPAC Name: 10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
• SMILES: CCCN(Cc1ccc(OC)cc1)c1c2c(nc3c(-c4ccc(OC)cc4C)c(C)nn13)CCC2
• InChI: InChI=1S/C29H34N4O2/c1-6-16-32(18-21-10-12-22(34-4)13-11-21)29-25-8-7-9-26(25)30-28-27(20(3)31-33(28)29)24-15-14-23(35-5)17-19(24)2/h10-15,17H,6-9,16,18H2,1-5H3
• InChIKey: NHLLGTPLQZHEAZ-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 51.89 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.62
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?

The IUPAC name of 10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine (CID 22178105) is 10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine.

What is the SMILES notation for 10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?

The canonical SMILES for 10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is CCCN(Cc1ccc(OC)cc1)c1c2c(nc3c(-c4ccc(OC)cc4C)c(C)nn13)CCC2.

What is the InChIKey of 10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?

The InChIKey is NHLLGTPLQZHEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-6-16-32(18-21-10-12-22(34-4)13-11-21)29-25-8-7-9-26(25)30-28-27(20(3)31-33(28)29)24-15-14-23(35-5)17-19(24)2/h10-15,17H,6-9,16,18H2,1-5H3.

What are the key properties of 10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine?

10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine has a molecular weight of 470.62 g/mol, XLogP of 5.94, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4-methoxy-2-methylphenyl)-N-[(4-methoxyphenyl)methyl]-11-methyl-N-propyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine is sourced from PubChem (CID 22178105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).