(2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol

C19H29NO2 — CID 8008086

IUPAC(2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2C[C@@H](O)COc2ccccc2)C1
InChIInChI=1S/C19H29NO2/c1-18(2)9-15-10-19(3,13-18)14-20(15)11-16(21)12-22-17-7-5-4-6-8-17/h4-8,15-16,21H,9-14H2,1-3H3/t15-,16-,19-/m1/s1
InChIKeyTWFIYJORCSEMDQ-GPMSIDNRSA-N
MW303.45 g/mol
LogP3.33
Rot. Bonds5

About (2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol

(2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol (PubChem CID 8008086) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
PubChem CID8008086
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name(2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol
SMILESCC1(C)C[C@@H]2C[C@@](C)(CN2C[C@@H](O)COc2ccccc2)C1
InChIInChI=1S/C19H29NO2/c1-18(2)9-15-10-19(3,13-18)14-20(15)11-16(21)12-22-17-7-5-4-6-8-17/h4-8,15-16,21H,9-14H2,1-3H3/t15-,16-,19-/m1/s1
InChIKeyTWFIYJORCSEMDQ-GPMSIDNRSA-N
XLogP3.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol?
The IUPAC name of (2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol (CID 8008086) is (2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol?
The canonical SMILES for (2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol is CC1(C)C[C@@H]2C[C@@](C)(CN2C[C@@H](O)COc2ccccc2)C1.
What is the InChIKey of (2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol?
The InChIKey is TWFIYJORCSEMDQ-GPMSIDNRSA-N. The full InChI is InChI=1S/C19H29NO2/c1-18(2)9-15-10-19(3,13-18)14-20(15)11-16(21)12-22-17-7-5-4-6-8-17/h4-8,15-16,21H,9-14H2,1-3H3/t15-,16-,19-/m1/s1.
What are the key properties of (2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol?
(2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol has a molecular weight of 303.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenoxy-3-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]propan-2-ol is sourced from PubChem (CID 8008086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).