3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine

C₁₁H₁₆FN — CID 62739574

About 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine

3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 62739574) has the molecular formula C₁₁H₁₆FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
• PubChem CID: 62739574
• Molecular Formula: C₁₁H₁₆FN
• Molecular Weight: 181.25 g/mol
• Exact Mass: 181.13
• IUPAC Name: 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
• SMILES: CC(C)(CN)Cc1ccccc1F
• InChI: InChI=1S/C11H16FN/c1-11(2,8-13)7-9-5-3-4-6-10(9)12/h3-6H,7-8,13H2,1-2H3
• InChIKey: DZTKODOCXMQLSH-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	181.25
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine?

The IUPAC name of 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine (CID 62739574) is 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine.

What is the SMILES notation for 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine?

The canonical SMILES for 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine is CC(C)(CN)Cc1ccccc1F.

What is the InChIKey of 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine?

The InChIKey is DZTKODOCXMQLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-11(2,8-13)7-9-5-3-4-6-10(9)12/h3-6H,7-8,13H2,1-2H3.

What are the key properties of 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine?

3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 62739574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62739574 — identifiers, structure, computed properties (public domain)

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