N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine

C26H30F2N2 — CID 7288626

About N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine

N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine (PubChem CID 7288626) has the molecular formula C26H30F2N2 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine.

Molecular Properties

• Compound Name: N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine
• PubChem CID: 7288626
• Molecular Formula: C26H30F2N2
• Molecular Weight: 408.54 g/mol
• Exact Mass: 408.24
• IUPAC Name: N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine
• SMILES: Cc1cccc(Cn2cccc2CN(Cc2cc(F)cc(F)c2)C2CCCCC2)c1
• InChI: InChI=1S/C26H30F2N2/c1-20-7-5-8-21(13-20)17-29-12-6-11-26(29)19-30(25-9-3-2-4-10-25)18-22-14-23(27)16-24(28)15-22/h5-8,11-16,25H,2-4,9-10,17-19H2,1H3
• InChIKey: HPVZYOJSZDFYAX-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.54
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine?

The IUPAC name of N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine (CID 7288626) is N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine.

What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine?

The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine is Cc1cccc(Cn2cccc2CN(Cc2cc(F)cc(F)c2)C2CCCCC2)c1.

What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine?

The InChIKey is HPVZYOJSZDFYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N2/c1-20-7-5-8-21(13-20)17-29-12-6-11-26(29)19-30(25-9-3-2-4-10-25)18-22-14-23(27)16-24(28)15-22/h5-8,11-16,25H,2-4,9-10,17-19H2,1H3.

What are the key properties of N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine?

N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine has a molecular weight of 408.54 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-difluorophenyl)methyl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine is sourced from PubChem (CID 7288626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).