N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

C24H28N2 — CID 42795125

About N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (PubChem CID 42795125) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.

Molecular Properties

• Compound Name: N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
• PubChem CID: 42795125
• Molecular Formula: C24H28N2
• Molecular Weight: 344.50 g/mol
• Exact Mass: 344.23
• IUPAC Name: N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
• SMILES: Cc1ccc(CN(Cc2cccn2Cc2ccccc2C)C2CC2)cc1
• InChI: InChI=1S/C24H28N2/c1-19-9-11-21(12-10-19)16-26(23-13-14-23)18-24-8-5-15-25(24)17-22-7-4-3-6-20(22)2/h3-12,15,23H,13-14,16-18H2,1-2H3
• InChIKey: OGZUUQLYSTYGCR-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	344.50
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?

The IUPAC name of N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (CID 42795125) is N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.

What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?

The canonical SMILES for N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is Cc1ccc(CN(Cc2cccn2Cc2ccccc2C)C2CC2)cc1.

What is the InChIKey of N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?

The InChIKey is OGZUUQLYSTYGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-19-9-11-21(12-10-19)16-26(23-13-14-23)18-24-8-5-15-25(24)17-22-7-4-3-6-20(22)2/h3-12,15,23H,13-14,16-18H2,1-2H3.

What are the key properties of N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?

N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine has a molecular weight of 344.50 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methylphenyl)methyl]-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 42795125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).