3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol

C13H21NO4 — CID 82850622

IUPAC3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol
SMILESCOCCNCc1ccccc1OCC(O)CO
InChIInChI=1S/C13H21NO4/c1-17-7-6-14-8-11-4-2-3-5-13(11)18-10-12(16)9-15/h2-5,12,14-16H,6-10H2,1H3
InChIKeyYREYHYVDABNGLX-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.15
Rot. Bonds9

About 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol

3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol (PubChem CID 82850622) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol
PubChem CID82850622
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol
SMILESCOCCNCc1ccccc1OCC(O)CO
InChIInChI=1S/C13H21NO4/c1-17-7-6-14-8-11-4-2-3-5-13(11)18-10-12(16)9-15/h2-5,12,14-16H,6-10H2,1H3
InChIKeyYREYHYVDABNGLX-UHFFFAOYSA-N
XLogP0.15
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83156925
methyl 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63949511
1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114491989
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114491988
2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine
CID 66047570
3-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol
CID 104665187
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 4720382
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404
1-[2-(propylaminomethyl)phenoxy]propan-2-ol
CID 60881781
1-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol
CID 114320203

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol?
The IUPAC name of 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol (CID 82850622) is 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol is COCCNCc1ccccc1OCC(O)CO.
What is the InChIKey of 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol?
The InChIKey is YREYHYVDABNGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-17-7-6-14-8-11-4-2-3-5-13(11)18-10-12(16)9-15/h2-5,12,14-16H,6-10H2,1H3.
What are the key properties of 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol?
3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol has a molecular weight of 255.31 g/mol, XLogP of 0.15, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol is sourced from PubChem (CID 82850622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).