(2R)-N-[(4-fluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methylbutan-2-amine

C24H28F2N2 — CID 93116782

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

(2R)-N-[(4-fluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methylbutan-2-amine (PubChem CID 93116782) has the molecular formula C24H28F2N2 and a molecular weight of 382.50 g/mol. Its IUPAC name is (2R)-N-[(4-fluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methylbutan-2-amine.

Molecular Properties

• Compound Name: (2R)-N-[(4-fluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methylbutan-2-amine
• PubChem CID: 93116782
• Molecular Formula: C24H28F2N2
• Molecular Weight: 382.50 g/mol
• Exact Mass: 382.22
• IUPAC Name: (2R)-N-[(4-fluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methylbutan-2-amine
• SMILES: CC(C)[C@@H](C)N(Cc1ccc(F)cc1)Cc1cccn1Cc1ccc(F)cc1
• InChI: InChI=1S/C24H28F2N2/c1-18(2)19(3)28(16-21-8-12-23(26)13-9-21)17-24-5-4-14-27(24)15-20-6-10-22(25)11-7-20/h4-14,18-19H,15-17H2,1-3H3/t19-/m1/s1
• InChIKey: FDDZYEGTURZUCW-LJQANCHMSA-N
• XLogP: 5.86
• 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	382.50
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of (2R)-N-[(4-fluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methylbutan-2-amine (CID 93116782) is (2R)-N-[(4-fluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methylbutan-2-amine.

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

The canonical SMILES for (2R)-N-[(4-fluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methylbutan-2-amine is CC(C)[C@@H](C)N(Cc1ccc(F)cc1)Cc1cccn1Cc1ccc(F)cc1.

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

The InChIKey is FDDZYEGTURZUCW-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28F2N2/c1-18(2)19(3)28(16-21-8-12-23(26)13-9-21)17-24-5-4-14-27(24)15-20-6-10-22(25)11-7-20/h4-14,18-19H,15-17H2,1-3H3/t19-/m1/s1.

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

(2R)-N-[(4-fluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methylbutan-2-amine has a molecular weight of 382.50 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(4-fluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 93116782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).