2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine

C₁₇H₂₆FN — CID 81417321

About 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine

2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine (PubChem CID 81417321) has the molecular formula C₁₇H₂₆FN and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

• Compound Name: 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine
• PubChem CID: 81417321
• Molecular Formula: C₁₇H₂₆FN
• Molecular Weight: 263.40 g/mol
• Exact Mass: 263.20
• IUPAC Name: 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine
• SMILES: CCC1(C)C(NC)CC1C(C)(C)c1ccc(F)cc1
• InChI: InChI=1S/C17H26FN/c1-6-17(4)14(11-15(17)19-5)16(2,3)12-7-9-13(18)10-8-12/h7-10,14-15,19H,6,11H2,1-5H3
• InChIKey: GKUHHYIEFWHMHB-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.40
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine?

The IUPAC name of 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine (CID 81417321) is 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine.

What is the SMILES notation for 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine?

The canonical SMILES for 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine is CCC1(C)C(NC)CC1C(C)(C)c1ccc(F)cc1.

What is the InChIKey of 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine?

The InChIKey is GKUHHYIEFWHMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-6-17(4)14(11-15(17)19-5)16(2,3)12-7-9-13(18)10-8-12/h7-10,14-15,19H,6,11H2,1-5H3.

What are the key properties of 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine?

2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 81417321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 81417321 — identifiers, structure, computed properties (public domain)

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