1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol

C15H21NO2 — CID 66370370

IUPAC1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
SMILESCc1ccccc1C(O)CN1CC2CCC(C1)O2
InChIInChI=1S/C15H21NO2/c1-11-4-2-3-5-14(11)15(17)10-16-8-12-6-7-13(9-16)18-12/h2-5,12-13,15,17H,6-10H2,1H3
InChIKeyIGJMTNNRYNQTBP-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.89
Rot. Bonds3

About 1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol

1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol (PubChem CID 66370370) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
PubChem CID66370370
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
SMILESCc1ccccc1C(O)CN1CC2CCC(C1)O2
InChIInChI=1S/C15H21NO2/c1-11-4-2-3-5-14(11)15(17)10-16-8-12-6-7-13(9-16)18-12/h2-5,12-13,15,17H,6-10H2,1H3
InChIKeyIGJMTNNRYNQTBP-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol
CID 55159139
2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol
CID 62973662
1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
CID 62623816
1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66372336
1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
CID 62966550
(1R)-2-[(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1-(2-methylphenyl)ethanol
CID 95780115
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 102936466
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methylphenyl)ethanol
CID 83136214
1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol
CID 65440471
1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 62622922
(2S,5R)-5-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120793169
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol?
The IUPAC name of 1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol (CID 66370370) is 1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol.
What is the SMILES notation for 1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol?
The canonical SMILES for 1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol is Cc1ccccc1C(O)CN1CC2CCC(C1)O2.
What is the InChIKey of 1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol?
The InChIKey is IGJMTNNRYNQTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-4-2-3-5-14(11)15(17)10-16-8-12-6-7-13(9-16)18-12/h2-5,12-13,15,17H,6-10H2,1H3.
What are the key properties of 1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol?
1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol has a molecular weight of 247.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol is sourced from PubChem (CID 66370370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).