(2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol

C19H33NO3 — CID 7058348

IUPAC(2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCOCC1
InChIInChI=1S/C19H33NO3/c21-18(13-20-2-5-22-6-3-20)14-23-4-1-19-10-15-7-16(11-19)9-17(8-15)12-19/h15-18,21H,1-14H2/t15?,16?,17?,18-,19?/m1/s1
InChIKeyPHPZOAWILSNRQG-GSBYPIHSSA-N
MW323.48 g/mol
LogP2.30
Rot. Bonds7

About (2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol

(2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 7058348) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is (2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID7058348
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name(2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCOCC1
InChIInChI=1S/C19H33NO3/c21-18(13-20-2-5-22-6-3-20)14-23-4-1-19-10-15-7-16(11-19)9-17(8-15)12-19/h15-18,21H,1-14H2/t15?,16?,17?,18-,19?/m1/s1
InChIKeyPHPZOAWILSNRQG-GSBYPIHSSA-N
XLogP2.30
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1-adamantyl)ethoxy]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2882803
1-[2-(1-adamantyl)ethoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 2870462
1-[2-(1-adamantyl)ethoxy]-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 2867092
1-[2-(1-adamantyl)ethoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2769769
(2R)-1-[2-(1-adamantyl)ethoxy]-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 42443395
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate
CID 7336055
1-[2-(7-methyl-7-tricyclo[3.3.1.03,9]nonanyl)ethoxy]-3-morpholin-4-ylpropan-2-ol
CID 130269708
(2R)-1-[2-(1-adamantyl)ethoxy]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070606
1-[2-(1-adamantyl)ethoxy]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 4258046
(2R)-1-[2-(1-adamantyl)ethoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 7482174
1-[2-(1-adamantyl)ethoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 2770538
1-[2-(1-adamantyl)ethoxy]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2856044

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol (CID 7058348) is (2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol is O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCOCC1.
What is the InChIKey of (2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is PHPZOAWILSNRQG-GSBYPIHSSA-N. The full InChI is InChI=1S/C19H33NO3/c21-18(13-20-2-5-22-6-3-20)14-23-4-1-19-10-15-7-16(11-19)9-17(8-15)12-19/h15-18,21H,1-14H2/t15?,16?,17?,18-,19?/m1/s1.
What are the key properties of (2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol?
(2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 323.48 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 7058348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).