8-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-8-azabicyclo[3.2.1]octan-3-ol

C15H21FN2O — CID 78950768

IUPAC8-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESC[C@H](N)c1ccc(N2C3CCC2CC(O)C3)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-9(17)10-2-5-15(14(16)6-10)18-11-3-4-12(18)8-13(19)7-11/h2,5-6,9,11-13,19H,3-4,7-8,17H2,1H3/t9-,11?,12?,13?/m0/s1
InChIKeyGCGUHYYFFXZYRX-KODGCSJUSA-N
MW264.34 g/mol
LogP2.34
Rot. Bonds2

About 8-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 78950768) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 8-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID78950768
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name8-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESC[C@H](N)c1ccc(N2C3CCC2CC(O)C3)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-9(17)10-2-5-15(14(16)6-10)18-11-3-4-12(18)8-13(19)7-11/h2,5-6,9,11-13,19H,3-4,7-8,17H2,1H3/t9-,11?,12?,13?/m0/s1
InChIKeyGCGUHYYFFXZYRX-KODGCSJUSA-N
XLogP2.34
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 78950768) is 8-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-8-azabicyclo[3.2.1]octan-3-ol is C[C@H](N)c1ccc(N2C3CCC2CC(O)C3)c(F)c1.
What is the InChIKey of 8-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is GCGUHYYFFXZYRX-KODGCSJUSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-9(17)10-2-5-15(14(16)6-10)18-11-3-4-12(18)8-13(19)7-11/h2,5-6,9,11-13,19H,3-4,7-8,17H2,1H3/t9-,11?,12?,13?/m0/s1.
What are the key properties of 8-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 264.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 78950768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).