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

C21H24FNO — CID 10782310

IUPAC(1S,5R)-3-[(3-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1cccc(F)c1)C2
InChIInChI=1S/C21H24FNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3/t18-,19+,20?,21?
InChIKeyMENSMDAKMYEQCK-WHSGIHJSSA-N
MW325.43 g/mol
LogP4.56
Rot. Bonds4

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

(1S,5R)-3-[(3-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 10782310) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is (1S,5R)-3-[(3-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-[(3-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID10782310
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name(1S,5R)-3-[(3-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1cccc(F)c1)C2
InChIInChI=1S/C21H24FNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3/t18-,19+,20?,21?
InChIKeyMENSMDAKMYEQCK-WHSGIHJSSA-N
XLogP4.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[(3-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-[(3-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane (CID 10782310) is (1S,5R)-3-[(3-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-[(3-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-[(3-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane is CN1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1cccc(F)c1)C2.
What is the InChIKey of (1S,5R)-3-[(3-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is MENSMDAKMYEQCK-WHSGIHJSSA-N. The full InChI is InChI=1S/C21H24FNO/c1-23-18-10-11-19(23)14-20(13-18)24-21(15-6-3-2-4-7-15)16-8-5-9-17(22)12-16/h2-9,12,18-21H,10-11,13-14H2,1H3/t18-,19+,20?,21?.
What are the key properties of (1S,5R)-3-[(3-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-[(3-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 325.43 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[(3-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 10782310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).