3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine

C₁₅H₂₂FN — CID 156864694

About 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine

3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine (PubChem CID 156864694) has the molecular formula C₁₅H₂₂FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine.

Molecular Properties

• Compound Name: 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine
• PubChem CID: 156864694
• Molecular Formula: C₁₅H₂₂FN
• Molecular Weight: 235.35 g/mol
• Exact Mass: 235.17
• IUPAC Name: 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine
• SMILES: CNC1CC(c2ccc(F)c(C(C)(C)C)c2)C1
• InChI: InChI=1S/C15H22FN/c1-15(2,3)13-9-10(5-6-14(13)16)11-7-12(8-11)17-4/h5-6,9,11-12,17H,7-8H2,1-4H3
• InChIKey: CWZNFHHPRKJXJX-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	235.35
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine?

The IUPAC name of 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine (CID 156864694) is 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine.

What is the SMILES notation for 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine?

The canonical SMILES for 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine is CNC1CC(c2ccc(F)c(C(C)(C)C)c2)C1.

What is the InChIKey of 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine?

The InChIKey is CWZNFHHPRKJXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-15(2,3)13-9-10(5-6-14(13)16)11-7-12(8-11)17-4/h5-6,9,11-12,17H,7-8H2,1-4H3.

What are the key properties of 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine?

3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-tert-butyl-4-fluorophenyl)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 156864694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156864694 — identifiers, structure, computed properties (public domain)

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