8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol

C15H22N2O — CID 78950772

IUPAC8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESC[C@@H](N)c1ccc(N2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C15H22N2O/c1-10(16)11-2-4-12(5-3-11)17-13-6-7-14(17)9-15(18)8-13/h2-5,10,13-15,18H,6-9,16H2,1H3/t10-,13?,14?,15?/m1/s1
InChIKeyCCSFKWRRGGDQII-HCMZFASKSA-N
MW246.35 g/mol
LogP2.20
Rot. Bonds2

About 8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 78950772) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID78950772
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESC[C@@H](N)c1ccc(N2C3CCC2CC(O)C3)cc1
InChIInChI=1S/C15H22N2O/c1-10(16)11-2-4-12(5-3-11)17-13-6-7-14(17)9-15(18)8-13/h2-5,10,13-15,18H,6-9,16H2,1H3/t10-,13?,14?,15?/m1/s1
InChIKeyCCSFKWRRGGDQII-HCMZFASKSA-N
XLogP2.20
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 78950772) is 8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol is C[C@@H](N)c1ccc(N2C3CCC2CC(O)C3)cc1.
What is the InChIKey of 8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is CCSFKWRRGGDQII-HCMZFASKSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(16)11-2-4-12(5-3-11)17-13-6-7-14(17)9-15(18)8-13/h2-5,10,13-15,18H,6-9,16H2,1H3/t10-,13?,14?,15?/m1/s1.
What are the key properties of 8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 246.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(1R)-1-aminoethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 78950772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).