1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol

C15H25NO4 — CID 106988527

IUPAC1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol
SMILESCNC(C)c1cccc(OCC(O)COCCOC)c1
InChIInChI=1S/C15H25NO4/c1-12(16-2)13-5-4-6-15(9-13)20-11-14(17)10-19-8-7-18-3/h4-6,9,12,14,16-17H,7-8,10-11H2,1-3H3
InChIKeyGJSLPHZJTXNFHE-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.37
Rot. Bonds10

About 1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol

1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol (PubChem CID 106988527) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol
PubChem CID106988527
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol
SMILESCNC(C)c1cccc(OCC(O)COCCOC)c1
InChIInChI=1S/C15H25NO4/c1-12(16-2)13-5-4-6-15(9-13)20-11-14(17)10-19-8-7-18-3/h4-6,9,12,14,16-17H,7-8,10-11H2,1-3H3
InChIKeyGJSLPHZJTXNFHE-UHFFFAOYSA-N
XLogP1.37
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.37
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-[3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylethanamine
CID 103402998
1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 60883271
1-(3-aminophenoxy)-3-(2-methoxyethoxy)propan-2-ol
CID 62269537
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 63931889
1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol
CID 63930638
1-butoxy-3-[3-[(1R)-1-hydroxyethyl]phenoxy]propan-2-ol
CID 107263420
N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434
1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine
CID 65176672
N-methyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279883
1-[1-(3-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989658
(1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine
CID 100557587

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol (CID 106988527) is 1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol is CNC(C)c1cccc(OCC(O)COCCOC)c1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol?
The InChIKey is GJSLPHZJTXNFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-12(16-2)13-5-4-6-15(9-13)20-11-14(17)10-19-8-7-18-3/h4-6,9,12,14,16-17H,7-8,10-11H2,1-3H3.
What are the key properties of 1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol?
1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol has a molecular weight of 283.37 g/mol, XLogP of 1.37, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol is sourced from PubChem (CID 106988527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).