2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol

C15H22N2O2 — CID 66371636

IUPAC2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
SMILESNC(CO)(CN1CC2CCC(C1)O2)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-15(11-18,12-4-2-1-3-5-12)10-17-8-13-6-7-14(9-17)19-13/h1-5,13-14,18H,6-11,16H2
InChIKeyQJYFOLBIZCZYQG-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.70
Rot. Bonds4

About 2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol

2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol (PubChem CID 66371636) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
PubChem CID66371636
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
SMILESNC(CO)(CN1CC2CCC(C1)O2)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-15(11-18,12-4-2-1-3-5-12)10-17-8-13-6-7-14(9-17)19-13/h1-5,13-14,18H,6-11,16H2
InChIKeyQJYFOLBIZCZYQG-UHFFFAOYSA-N
XLogP0.70
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
CID 66371052
2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 64797987
2-amino-3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropan-1-ol
CID 64826847
2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol
CID 64786845
2-amino-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-one
CID 66372006
2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)-2-phenylpropan-1-ol
CID 64826781
2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol
CID 104692736
2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol
CID 116695061
2-amino-2-cyclopropyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
CID 66371178
2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-ol
CID 64826452
2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)butan-1-ol
CID 66371587
2-amino-3-(cyclopropylmethoxy)-2-phenylpropan-1-ol
CID 64804277

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol (CID 66371636) is 2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol is NC(CO)(CN1CC2CCC(C1)O2)c1ccccc1.
What is the InChIKey of 2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol?
The InChIKey is QJYFOLBIZCZYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-15(11-18,12-4-2-1-3-5-12)10-17-8-13-6-7-14(9-17)19-13/h1-5,13-14,18H,6-11,16H2.
What are the key properties of 2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol?
2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol has a molecular weight of 262.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol is sourced from PubChem (CID 66371636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).