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

C16H24N2O2 — CID 66371052

IUPAC2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
SMILESCNC(CO)(CN1CC2CCC(C1)O2)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-17-16(12-19,13-5-3-2-4-6-13)11-18-9-14-7-8-15(10-18)20-14/h2-6,14-15,17,19H,7-12H2,1H3
InChIKeyYXCLHGKEBYQVRQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.96
Rot. Bonds5

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

2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol (PubChem CID 66371052) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
PubChem CID66371052
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
SMILESCNC(CO)(CN1CC2CCC(C1)O2)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-17-16(12-19,13-5-3-2-4-6-13)11-18-9-14-7-8-15(10-18)20-14/h2-6,14-15,17,19H,7-12H2,1H3
InChIKeyYXCLHGKEBYQVRQ-UHFFFAOYSA-N
XLogP0.96
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
CID 66371636
3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
CID 64827049
3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol
CID 64790992
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol
CID 104961356
2-(methylamino)-3-(4-methyl-1,4-diazepan-1-yl)-2-phenylpropan-1-ol
CID 64796768
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
CID 65322650
4-(2-ethylmorpholin-4-yl)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695149
4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695306
4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695614
2-(cyclopropylamino)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 64797775
3-(4,4-dimethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 114342759
2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol
CID 64811940

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol?
The IUPAC name of 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol (CID 66371052) is 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol is CNC(CO)(CN1CC2CCC(C1)O2)c1ccccc1.
What is the InChIKey of 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol?
The InChIKey is YXCLHGKEBYQVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-16(12-19,13-5-3-2-4-6-13)11-18-9-14-7-8-15(10-18)20-14/h2-6,14-15,17,19H,7-12H2,1H3.
What are the key properties of 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol?
2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol has a molecular weight of 276.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol is sourced from PubChem (CID 66371052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).