1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol

C16H27NO4 — CID 115585709

IUPAC1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
SMILESCOc1ccc(OCC(O)CNCCOCC(C)C)cc1
InChIInChI=1S/C16H27NO4/c1-13(2)11-20-9-8-17-10-14(18)12-21-16-6-4-15(19-3)5-7-16/h4-7,13-14,17-18H,8-12H2,1-3H3
InChIKeyMYVCWSNKWYDHNF-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.70
Rot. Bonds11

About 1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol

1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol (PubChem CID 115585709) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
PubChem CID115585709
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
SMILESCOc1ccc(OCC(O)CNCCOCC(C)C)cc1
InChIInChI=1S/C16H27NO4/c1-13(2)11-20-9-8-17-10-14(18)12-21-16-6-4-15(19-3)5-7-16/h4-7,13-14,17-18H,8-12H2,1-3H3
InChIKeyMYVCWSNKWYDHNF-UHFFFAOYSA-N
XLogP1.70
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.70
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

1-[2-(2-methylpropoxy)ethylamino]-3-phenoxypropan-2-ol
CID 115585680
1-[2-(2-hydroxyethoxy)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60633049
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol
CID 64913738
1-(4-chloro-3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585716
1-(3-methylphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585686
1-(3-chlorophenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585707
1-(4-methoxyphenoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63227399
1-(4-bromophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938591
1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60635246
N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide
CID 60909902
(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39356436

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol (CID 115585709) is 1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol is COc1ccc(OCC(O)CNCCOCC(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol?
The InChIKey is MYVCWSNKWYDHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-13(2)11-20-9-8-17-10-14(18)12-21-16-6-4-15(19-3)5-7-16/h4-7,13-14,17-18H,8-12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol?
1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol has a molecular weight of 297.39 g/mol, XLogP of 1.70, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 115585709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).