CITFA

C₂₅H₃₅NO₂ — CID 153360510

About CITFA

CITFA (PubChem CID 153360510) has the molecular formula C₂₅H₃₅NO₂ and a molecular weight of 381.56 g/mol. Its IUPAC name is 2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline.

Molecular Properties

• Compound Name: CITFA
• PubChem CID: 153360510
• Molecular Formula: C₂₅H₃₅NO₂
• Molecular Weight: 381.56 g/mol
• Exact Mass: 381.27
• IUPAC Name: 2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline
• SMILES: CC(C)c1ccc(NCc2ccc(C3CCCCO3)o2)c(C2CCCCC2)c1
• InChI: InChI=1S/C25H35NO2/c1-18(2)20-11-13-23(22(16-20)19-8-4-3-5-9-19)26-17-21-12-14-25(28-21)24-10-6-7-15-27-24/h11-14,16,18-19,24,26H,3-10,15,17H2,1-2H3
• InChIKey: GYTVCHRGONLGMD-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 34.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	381.56
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of CITFA?

The IUPAC name of CITFA (CID 153360510) is 2-cyclohexyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-propan-2-ylaniline.

What is the SMILES notation for CITFA?

The canonical SMILES for CITFA is CC(C)c1ccc(NCc2ccc(C3CCCCO3)o2)c(C2CCCCC2)c1.

What is the InChIKey of CITFA?

The InChIKey is GYTVCHRGONLGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2/c1-18(2)20-11-13-23(22(16-20)19-8-4-3-5-9-19)26-17-21-12-14-25(28-21)24-10-6-7-15-27-24/h11-14,16,18-19,24,26H,3-10,15,17H2,1-2H3.

What are the key properties of CITFA?

CITFA has a molecular weight of 381.56 g/mol, XLogP of 7.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CITFA is sourced from PubChem (CID 153360510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153360510 — identifiers, structure, computed properties (public domain)

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