(1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol

C14H19NO — CID 124932656

IUPAC(1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol
SMILESCN1[C@H]2CC[C@H]1[C@H](O)[C@H](c1ccccc1)C2
InChIInChI=1S/C14H19NO/c1-15-11-7-8-13(15)14(16)12(9-11)10-5-3-2-4-6-10/h2-6,11-14,16H,7-9H2,1H3/t11-,12-,13-,14+/m0/s1
InChIKeyMJGYFJJZXVBXPH-XDQVBPFNSA-N
MW217.31 g/mol
LogP2.00
Rot. Bonds1

About (1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol

(1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol (PubChem CID 124932656) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol.

Molecular Properties

Compound Name(1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol
PubChem CID124932656
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol
SMILESCN1[C@H]2CC[C@H]1[C@H](O)[C@H](c1ccccc1)C2
InChIInChI=1S/C14H19NO/c1-15-11-7-8-13(15)14(16)12(9-11)10-5-3-2-4-6-10/h2-6,11-14,16H,7-9H2,1H3/t11-,12-,13-,14+/m0/s1
InChIKeyMJGYFJJZXVBXPH-XDQVBPFNSA-N
XLogP2.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol?
The IUPAC name of (1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol (CID 124932656) is (1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol.
What is the SMILES notation for (1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol?
The canonical SMILES for (1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol is CN1[C@H]2CC[C@H]1[C@H](O)[C@H](c1ccccc1)C2.
What is the InChIKey of (1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol?
The InChIKey is MJGYFJJZXVBXPH-XDQVBPFNSA-N. The full InChI is InChI=1S/C14H19NO/c1-15-11-7-8-13(15)14(16)12(9-11)10-5-3-2-4-6-10/h2-6,11-14,16H,7-9H2,1H3/t11-,12-,13-,14+/m0/s1.
What are the key properties of (1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol?
(1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol has a molecular weight of 217.31 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-2-ol is sourced from PubChem (CID 124932656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).