(1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane

C21H25NO — CID 1201549

IUPAC(1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20?
InChIKeyGIJXKZJWITVLHI-YOFSQIOKSA-N
MW307.44 g/mol
LogP4.42
Rot. Bonds4

About (1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane

(1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 1201549) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is (1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID1201549
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name(1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20?
InChIKeyGIJXKZJWITVLHI-YOFSQIOKSA-N
XLogP4.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane (CID 1201549) is (1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane is CN1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of (1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is GIJXKZJWITVLHI-YOFSQIOKSA-N. The full InChI is InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20?.
What are the key properties of (1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane?
(1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 307.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 1201549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).