3-[(1R,5R,8S)-2,8-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol

C16H23NO — CID 73353693

IUPAC3-[(1R,5R,8S)-2,8-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol
SMILESC[C@H]1CC[C@@]2(c3cccc(O)c3)CCN(C)[C@@H]1C2
InChIInChI=1S/C16H23NO/c1-12-6-7-16(8-9-17(2)15(12)11-16)13-4-3-5-14(18)10-13/h3-5,10,12,15,18H,6-9,11H2,1-2H3/t12-,15+,16+/m0/s1
InChIKeyGYMNUWBSTONAJV-APHBMKBZSA-N
MW245.37 g/mol
LogP3.15
Rot. Bonds1

About 3-[(1R,5R,8S)-2,8-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol

3-[(1R,5R,8S)-2,8-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol (PubChem CID 73353693) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[(1R,5R,8S)-2,8-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol.

Molecular Properties

Compound Name3-[(1R,5R,8S)-2,8-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol
PubChem CID73353693
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-[(1R,5R,8S)-2,8-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol
SMILESC[C@H]1CC[C@@]2(c3cccc(O)c3)CCN(C)[C@@H]1C2
InChIInChI=1S/C16H23NO/c1-12-6-7-16(8-9-17(2)15(12)11-16)13-4-3-5-14(18)10-13/h3-5,10,12,15,18H,6-9,11H2,1-2H3/t12-,15+,16+/m0/s1
InChIKeyGYMNUWBSTONAJV-APHBMKBZSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5R,8S)-2,8-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol?
The IUPAC name of 3-[(1R,5R,8S)-2,8-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol (CID 73353693) is 3-[(1R,5R,8S)-2,8-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol.
What is the SMILES notation for 3-[(1R,5R,8S)-2,8-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol?
The canonical SMILES for 3-[(1R,5R,8S)-2,8-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol is C[C@H]1CC[C@@]2(c3cccc(O)c3)CCN(C)[C@@H]1C2.
What is the InChIKey of 3-[(1R,5R,8S)-2,8-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol?
The InChIKey is GYMNUWBSTONAJV-APHBMKBZSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-6-7-16(8-9-17(2)15(12)11-16)13-4-3-5-14(18)10-13/h3-5,10,12,15,18H,6-9,11H2,1-2H3/t12-,15+,16+/m0/s1.
What are the key properties of 3-[(1R,5R,8S)-2,8-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol?
3-[(1R,5R,8S)-2,8-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol has a molecular weight of 245.37 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5R,8S)-2,8-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol is sourced from PubChem (CID 73353693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).