(1S,5R)-3-[(2-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane

C21H24FNO — CID 10496291

IUPAC(1S,5R)-3-[(2-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1ccccc1F)C2
InChIInChI=1S/C21H24FNO/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14H2,1H3/t16-,17+,18?,21?
InChIKeyFLMFVONYZLSMMT-JOIKAWEESA-N
MW325.43 g/mol
LogP4.56
Rot. Bonds4

About (1S,5R)-3-[(2-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane

(1S,5R)-3-[(2-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 10496291) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is (1S,5R)-3-[(2-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-[(2-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID10496291
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name(1S,5R)-3-[(2-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1ccccc1F)C2
InChIInChI=1S/C21H24FNO/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14H2,1H3/t16-,17+,18?,21?
InChIKeyFLMFVONYZLSMMT-JOIKAWEESA-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-[(2-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-[(2-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane (CID 10496291) is (1S,5R)-3-[(2-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-[(2-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-[(2-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane is CN1[C@@H]2CC[C@H]1CC(OC(c1ccccc1)c1ccccc1F)C2.
What is the InChIKey of (1S,5R)-3-[(2-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is FLMFVONYZLSMMT-JOIKAWEESA-N. The full InChI is InChI=1S/C21H24FNO/c1-23-16-11-12-17(23)14-18(13-16)24-21(15-7-3-2-4-8-15)19-9-5-6-10-20(19)22/h2-10,16-18,21H,11-14H2,1H3/t16-,17+,18?,21?.
What are the key properties of (1S,5R)-3-[(2-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-[(2-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-[(2-fluorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 10496291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).