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(1R,2S,3S,5S)-N-benzyl-2-fluoro-N,1,5-trimethyl-8-azabicyclo[3.2.1]octan-3-amine

C17H25FN2 — CID 153382958

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(1R,2S,3S,5S)-N-benzyl-2-fluoro-N,1,5-trimethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(Cc1ccccc1)[C@H]1C[C@]2(C)CC[C@@](C)(N2)[C@H]1F
InChIInChI=1S/C17H25FN2/c1-16-9-10-17(2,19-16)15(18)14(11-16)20(3)12-13-7-5-4-6-8-13/h4-8,14-15,19H,9-12H2,1-3H3/t14-,15-,16-,17+/m0/s1
InChIKeyYMSKSKRMWOLKHA-LUKYLMHMSA-N
MW276.40 g/mol
LogP3.13
Rot. Bonds3

About (1R,2S,3S,5S)-N-benzyl-2-fluoro-N,1,5-trimethyl-8-azabicyclo[3.2.1]octan-3-amine

(1R,2S,3S,5S)-N-benzyl-2-fluoro-N,1,5-trimethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 153382958) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is (1R,2S,3S,5S)-N-benzyl-2-fluoro-N,1,5-trimethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1R,2S,3S,5S)-N-benzyl-2-fluoro-N,1,5-trimethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID153382958
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name(1R,2S,3S,5S)-N-benzyl-2-fluoro-N,1,5-trimethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(Cc1ccccc1)[C@H]1C[C@]2(C)CC[C@@](C)(N2)[C@H]1F
InChIInChI=1S/C17H25FN2/c1-16-9-10-17(2,19-16)15(18)14(11-16)20(3)12-13-7-5-4-6-8-13/h4-8,14-15,19H,9-12H2,1-3H3/t14-,15-,16-,17+/m0/s1
InChIKeyYMSKSKRMWOLKHA-LUKYLMHMSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,5S)-N-benzyl-2-fluoro-N,1,5-trimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1R,2S,3S,5S)-N-benzyl-2-fluoro-N,1,5-trimethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 153382958) is (1R,2S,3S,5S)-N-benzyl-2-fluoro-N,1,5-trimethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1R,2S,3S,5S)-N-benzyl-2-fluoro-N,1,5-trimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1R,2S,3S,5S)-N-benzyl-2-fluoro-N,1,5-trimethyl-8-azabicyclo[3.2.1]octan-3-amine is CN(Cc1ccccc1)[C@H]1C[C@]2(C)CC[C@@](C)(N2)[C@H]1F.
What is the InChIKey of (1R,2S,3S,5S)-N-benzyl-2-fluoro-N,1,5-trimethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is YMSKSKRMWOLKHA-LUKYLMHMSA-N. The full InChI is InChI=1S/C17H25FN2/c1-16-9-10-17(2,19-16)15(18)14(11-16)20(3)12-13-7-5-4-6-8-13/h4-8,14-15,19H,9-12H2,1-3H3/t14-,15-,16-,17+/m0/s1.
What are the key properties of (1R,2S,3S,5S)-N-benzyl-2-fluoro-N,1,5-trimethyl-8-azabicyclo[3.2.1]octan-3-amine?
(1R,2S,3S,5S)-N-benzyl-2-fluoro-N,1,5-trimethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 276.40 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,5S)-N-benzyl-2-fluoro-N,1,5-trimethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 153382958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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