1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol

C16H27NO3 — CID 114491989

IUPAC1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
SMILESCOCCNCc1ccccc1OCC(C)(O)C(C)C
InChIInChI=1S/C16H27NO3/c1-13(2)16(3,18)12-20-15-8-6-5-7-14(15)11-17-9-10-19-4/h5-8,13,17-18H,9-12H2,1-4H3
InChIKeyWEOZDRKHSIZFRO-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.21
Rot. Bonds9

About 1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol

1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol (PubChem CID 114491989) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
PubChem CID114491989
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
SMILESCOCCNCc1ccccc1OCC(C)(O)C(C)C
InChIInChI=1S/C16H27NO3/c1-13(2)16(3,18)12-20-15-8-6-5-7-14(15)11-17-9-10-19-4/h5-8,13,17-18H,9-12H2,1-4H3
InChIKeyWEOZDRKHSIZFRO-UHFFFAOYSA-N
XLogP2.21
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.21
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

3-[[2-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114491988
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
2-methoxy-N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83156925
3-[2-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol
CID 82850622
2-methoxy-N-[[2-(2-methylidenebutoxy)phenyl]methyl]ethanamine
CID 66047570
methyl 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63949511
2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63071959
1-[4-fluoro-2-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107697135
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 4720382
N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055805
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol (CID 114491989) is 1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol is COCCNCc1ccccc1OCC(C)(O)C(C)C.
What is the InChIKey of 1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol?
The InChIKey is WEOZDRKHSIZFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13(2)16(3,18)12-20-15-8-6-5-7-14(15)11-17-9-10-19-4/h5-8,13,17-18H,9-12H2,1-4H3.
What are the key properties of 1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol?
1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methoxyethylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114491989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).