(2R)-3-methyl-N-[(4-methylphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]butan-2-amine

C26H34N2 — CID 93116310

About (2R)-3-methyl-N-[(4-methylphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]butan-2-amine

(2R)-3-methyl-N-[(4-methylphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]butan-2-amine (PubChem CID 93116310) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is (2R)-3-methyl-N-[(4-methylphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]butan-2-amine.

Molecular Properties

• Compound Name: (2R)-3-methyl-N-[(4-methylphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]butan-2-amine
• PubChem CID: 93116310
• Molecular Formula: C26H34N2
• Molecular Weight: 374.57 g/mol
• Exact Mass: 374.27
• IUPAC Name: (2R)-3-methyl-N-[(4-methylphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]butan-2-amine
• SMILES: Cc1ccc(CN(Cc2cccn2Cc2ccc(C)cc2)[C@H](C)C(C)C)cc1
• InChI: InChI=1S/C26H34N2/c1-20(2)23(5)28(18-25-14-10-22(4)11-15-25)19-26-7-6-16-27(26)17-24-12-8-21(3)9-13-24/h6-16,20,23H,17-19H2,1-5H3/t23-/m1/s1
• InChIKey: HDVZFZMFSHXFOJ-HSZRJFAPSA-N
• XLogP: 6.20
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	374.57
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-[(4-methylphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]butan-2-amine?

The IUPAC name of (2R)-3-methyl-N-[(4-methylphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]butan-2-amine (CID 93116310) is (2R)-3-methyl-N-[(4-methylphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]butan-2-amine.

What is the SMILES notation for (2R)-3-methyl-N-[(4-methylphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]butan-2-amine?

The canonical SMILES for (2R)-3-methyl-N-[(4-methylphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]butan-2-amine is Cc1ccc(CN(Cc2cccn2Cc2ccc(C)cc2)[C@H](C)C(C)C)cc1.

What is the InChIKey of (2R)-3-methyl-N-[(4-methylphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]butan-2-amine?

The InChIKey is HDVZFZMFSHXFOJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H34N2/c1-20(2)23(5)28(18-25-14-10-22(4)11-15-25)19-26-7-6-16-27(26)17-24-12-8-21(3)9-13-24/h6-16,20,23H,17-19H2,1-5H3/t23-/m1/s1.

What are the key properties of (2R)-3-methyl-N-[(4-methylphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]butan-2-amine?

(2R)-3-methyl-N-[(4-methylphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]butan-2-amine has a molecular weight of 374.57 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-methyl-N-[(4-methylphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 93116310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).