(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol

C15H25NO4 — CID 125487777

IUPAC(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol
SMILESCCCOC[C@@H](O)CNCCOc1ccccc1OC
InChIInChI=1S/C15H25NO4/c1-3-9-19-12-13(17)11-16-8-10-20-15-7-5-4-6-14(15)18-2/h4-7,13,16-17H,3,8-12H2,1-2H3/t13-/m0/s1
InChIKeyZIPAANXLLAQLPS-ZDUSSCGKSA-N
MW283.37 g/mol
LogP1.45
Rot. Bonds11

About (2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol

(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol (PubChem CID 125487777) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol
PubChem CID125487777
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol
SMILESCCCOC[C@@H](O)CNCCOc1ccccc1OC
InChIInChI=1S/C15H25NO4/c1-3-9-19-12-13(17)11-16-8-10-20-15-7-5-4-6-14(15)18-2/h4-7,13,16-17H,3,8-12H2,1-2H3/t13-/m0/s1
InChIKeyZIPAANXLLAQLPS-ZDUSSCGKSA-N
XLogP1.45
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.45
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

(2R)-1-[(E)-hex-3-enoxy]-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 125487765
1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol
CID 107152431
1-(1-adamantyloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 72711820
4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
CID 106246755
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
CID 117067322
2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propanamide
CID 106174794
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-[(3-propyl-2H-indazol-4-yl)oxy]propan-2-ol
CID 155021583
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-(1H-indazol-6-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 72710965
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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol?
The IUPAC name of (2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol (CID 125487777) is (2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol?
The canonical SMILES for (2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol is CCCOC[C@@H](O)CNCCOc1ccccc1OC.
What is the InChIKey of (2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol?
The InChIKey is ZIPAANXLLAQLPS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO4/c1-3-9-19-12-13(17)11-16-8-10-20-15-7-5-4-6-14(15)18-2/h4-7,13,16-17H,3,8-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol?
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol has a molecular weight of 283.37 g/mol, XLogP of 1.45, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol is sourced from PubChem (CID 125487777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).