3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol

C16H27NO3 — CID 114491988

IUPAC3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1ccccc1CNCCOC
InChIInChI=1S/C16H27NO3/c1-4-16(18,5-2)13-20-15-9-7-6-8-14(15)12-17-10-11-19-3/h6-9,17-18H,4-5,10-13H2,1-3H3
InChIKeyQLNYUMZAAIKMLY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.35
Rot. Bonds10

About 3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol

3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol (PubChem CID 114491988) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
PubChem CID114491988
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
SMILESCCC(O)(CC)COc1ccccc1CNCCOC
InChIInChI=1S/C16H27NO3/c1-4-16(18,5-2)13-20-15-9-7-6-8-14(15)12-17-10-11-19-3/h6-9,17-18H,4-5,10-13H2,1-3H3
InChIKeyQLNYUMZAAIKMLY-UHFFFAOYSA-N
XLogP2.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114491989
3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114492355
2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine
CID 66047570
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
methyl 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63949511
3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol
CID 82850622
N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055805
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 4720382
2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83156925
2-[2-(ethylaminomethyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 61487799
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107697135

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol (CID 114491988) is 3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol is CCC(O)(CC)COc1ccccc1CNCCOC.
What is the InChIKey of 3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol?
The InChIKey is QLNYUMZAAIKMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-16(18,5-2)13-20-15-9-7-6-8-14(15)12-17-10-11-19-3/h6-9,17-18H,4-5,10-13H2,1-3H3.
What are the key properties of 3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol?
3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol has a molecular weight of 281.40 g/mol, XLogP of 2.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol is sourced from PubChem (CID 114491988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).