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

C16H23NO2 — CID 103921748

IUPAC(2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol
SMILESCC1(C)C(N[C@@H](CO)c2ccccc2)C2CCOC21
InChIInChI=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
InChIKeyVMZBARJCUNZOET-IBLUKRHDSA-N
MW261.36 g/mol
LogP2.12
Rot. Bonds4

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 CID103921748
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(2R)-2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-phenylethanol
SMILESCC1(C)C(N[C@@H](CO)c2ccccc2)C2CCOC21
InChIInChI=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
InChIKeyVMZBARJCUNZOET-IBLUKRHDSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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).