3-[8-(2-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol

C22H28N2O — CID 67026993

IUPAC3-[8-(2-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol
SMILESNC(Cc1ccccc1)CN1C2CCC1CC(c1cccc(O)c1)C2
InChIInChI=1S/C22H28N2O/c23-19(11-16-5-2-1-3-6-16)15-24-20-9-10-21(24)13-18(12-20)17-7-4-8-22(25)14-17/h1-8,14,18-21,25H,9-13,15,23H2
InChIKeyUHMSTASAGYVGSM-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.67
Rot. Bonds5

About 3-[8-(2-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol

3-[8-(2-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol (PubChem CID 67026993) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-[8-(2-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol.

Molecular Properties

Compound Name3-[8-(2-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol
PubChem CID67026993
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name3-[8-(2-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol
SMILESNC(Cc1ccccc1)CN1C2CCC1CC(c1cccc(O)c1)C2
InChIInChI=1S/C22H28N2O/c23-19(11-16-5-2-1-3-6-16)15-24-20-9-10-21(24)13-18(12-20)17-7-4-8-22(25)14-17/h1-8,14,18-21,25H,9-13,15,23H2
InChIKeyUHMSTASAGYVGSM-UHFFFAOYSA-N
XLogP3.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[(2R)-1-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propan-2-yl]-2-phenylacetamide
CID 67184093
N-benzyl-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]acetamide
CID 67184304
(2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid
CID 177277698
[2-[benzyl-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]amino]-2-oxoethyl] acetate
CID 134151142
3-[(1S,5R)-8-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]phenol
CID 67184561
3-[1-(2-amino-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol
CID 19735846
3-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propyl]phenol
CID 15048617
3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol
CID 118239135
N-(cyclohexylmethyl)-N-[2-[(1R,5S)-3-(3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-3-methylbutanamide
CID 68549968
3-[1-[(3R)-3-amino-4-(3,4-difluorophenyl)butyl]piperidin-4-yl]phenol
CID 44523571
3-[8-[1-(1H-imidazol-5-yl)-2-phenylethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 68578913
3-[(1R,5S)-8-[2-[cyclohexylmethyl-[(2S)-2-hydroxy-3-phenylpropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 67182970

Frequently Asked Questions

What is the IUPAC name of 3-[8-(2-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol?
The IUPAC name of 3-[8-(2-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol (CID 67026993) is 3-[8-(2-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol.
What is the SMILES notation for 3-[8-(2-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol?
The canonical SMILES for 3-[8-(2-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol is NC(Cc1ccccc1)CN1C2CCC1CC(c1cccc(O)c1)C2.
What is the InChIKey of 3-[8-(2-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol?
The InChIKey is UHMSTASAGYVGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c23-19(11-16-5-2-1-3-6-16)15-24-20-9-10-21(24)13-18(12-20)17-7-4-8-22(25)14-17/h1-8,14,18-21,25H,9-13,15,23H2.
What are the key properties of 3-[8-(2-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol?
3-[8-(2-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol has a molecular weight of 336.48 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(2-amino-3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]phenol is sourced from PubChem (CID 67026993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).