(2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol

C₁₆H₂₃NO₂ — CID 103921748

About (2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol

(2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol (PubChem CID 103921748) has the molecular formula C₁₆H₂₃NO₂ and a molecular weight of 261.36 g/mol. Its IUPAC name is (2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol.

Molecular Properties

• Compound Name: (2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol
• PubChem CID: 103921748
• Molecular Formula: C₁₆H₂₃NO₂
• Molecular Weight: 261.36 g/mol
• Exact Mass: 261.17
• IUPAC Name: (2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol
• SMILES: CC1(C)C(N[C@@H](CO)c2ccccc2)C2CCOC21
• InChI: InChI=1S/C16H23NO2/c1-16(2)14(12-8-9-19-15(12)16)17-13(10-18)11-6-4-3-5-7-11/h3-7,12-15,17-18H,8-10H2,1-2H3/t12?,13-,14?,15?/m0/s1
• InChIKey: VMZBARJCUNZOET-IBLUKRHDSA-N
• XLogP: 2.12
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	261.36
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol?

The IUPAC name of (2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol (CID 103921748) is (2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol.

What is the SMILES notation for (2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol?

The canonical SMILES for (2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol is CC1(C)C(N[C@@H](CO)c2ccccc2)C2CCOC21.

What is the InChIKey of (2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol?

The InChIKey is VMZBARJCUNZOET-IBLUKRHDSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2)14(12-8-9-19-15(12)16)17-13(10-18)11-6-4-3-5-7-11/h3-7,12-15,17-18H,8-10H2,1-2H3/t12?,13-,14?,15?/m0/s1.

What are the key properties of (2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol?

(2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol has a molecular weight of 261.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol is sourced from PubChem (CID 103921748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103921748 — identifiers, structure, computed properties (public domain)

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