1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol

C22H33NO4 — CID 72711820

IUPAC1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
SMILESCOc1ccccc1OCCNCC(O)COC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H33NO4/c1-25-20-4-2-3-5-21(20)26-7-6-23-14-19(24)15-27-22-11-16-8-17(12-22)10-18(9-16)13-22/h2-5,16-19,23-24H,6-15H2,1H3
InChIKeySDFVXODQGXDOCU-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.01
Rot. Bonds10

About 1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol

1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol (PubChem CID 72711820) has the molecular formula C22H33NO4 and a molecular weight of 375.51 g/mol. Its IUPAC name is 1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
PubChem CID72711820
Molecular FormulaC22H33NO4
Molecular Weight375.51 g/mol
Exact Mass375.24
IUPAC Name1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
SMILESCOc1ccccc1OCCNCC(O)COC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H33NO4/c1-25-20-4-2-3-5-21(20)26-7-6-23-14-19(24)15-27-22-11-16-8-17(12-22)10-18(9-16)13-22/h2-5,16-19,23-24H,6-15H2,1H3
InChIKeySDFVXODQGXDOCU-UHFFFAOYSA-N
XLogP3.01
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol
CID 125487777
1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol
CID 107152431
(2R)-1-[(E)-hex-3-enoxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 125487765
4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
CID 106246755
1-(1-adamantyloxy)-3-(2-hydroxyethylamino)propan-2-ol
CID 23009134
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
CID 117067322
2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propanamide
CID 106174794
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 2585
1-(2-methoxyphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965784
1-(3-benzhydryloxypropylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 110194017
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride
CID 11419372
1-(2-methoxyphenoxy)-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616905

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol (CID 72711820) is 1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol is COc1ccccc1OCCNCC(O)COC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
The InChIKey is SDFVXODQGXDOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO4/c1-25-20-4-2-3-5-21(20)26-7-6-23-14-19(24)15-27-22-11-16-8-17(12-22)10-18(9-16)13-22/h2-5,16-19,23-24H,6-15H2,1H3.
What are the key properties of 1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol?
1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol has a molecular weight of 375.51 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 72711820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).