(5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane

C14H18FN — CID 66807176

IUPAC(5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane
SMILESFc1ccccc1CN1C2CCC[C@@H]1CC2
InChIInChI=1S/C14H18FN/c15-14-7-2-1-4-11(14)10-16-12-5-3-6-13(16)9-8-12/h1-2,4,7,12-13H,3,5-6,8-10H2/t12-,13?/m1/s1
InChIKeyDUGSSFZLGMEETE-PZORYLMUSA-N
MW219.30 g/mol
LogP3.34
Rot. Bonds2

About (5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane

(5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane (PubChem CID 66807176) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is (5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane
PubChem CID66807176
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name(5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane
SMILESFc1ccccc1CN1C2CCC[C@@H]1CC2
InChIInChI=1S/C14H18FN/c15-14-7-2-1-4-11(14)10-16-12-5-3-6-13(16)9-8-12/h1-2,4,7,12-13H,3,5-6,8-10H2/t12-,13?/m1/s1
InChIKeyDUGSSFZLGMEETE-PZORYLMUSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-4-[(2-fluorophenyl)methyl]piperazine
CID 740956
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
(1S,5S)-8-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 98114778
8-[(2-fluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739080
2-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)benzaldehyde
CID 165493057
1-(cyclobutylmethyl)-2-fluorobenzene
CID 89050192
2-[(2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234263
1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-fluorophenyl)propan-1-one
CID 171948222
8-benzyl-3-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171959064
9-[(2,5-difluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 63795893
2-fluoro-N-[9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 43813977
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192

Frequently Asked Questions

What is the IUPAC name of (5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of (5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane (CID 66807176) is (5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane is Fc1ccccc1CN1C2CCC[C@@H]1CC2.
What is the InChIKey of (5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is DUGSSFZLGMEETE-PZORYLMUSA-N. The full InChI is InChI=1S/C14H18FN/c15-14-7-2-1-4-11(14)10-16-12-5-3-6-13(16)9-8-12/h1-2,4,7,12-13H,3,5-6,8-10H2/t12-,13?/m1/s1.
What are the key properties of (5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane?
(5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 219.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66807176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).