4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol

C15H25NO3 — CID 79360226

IUPAC4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
SMILESCOCCNCc1ccc(OCCC(C)(C)O)cc1
InChIInChI=1S/C15H25NO3/c1-15(2,17)8-10-19-14-6-4-13(5-7-14)12-16-9-11-18-3/h4-7,16-17H,8-12H2,1-3H3
InChIKeyMEFNNMRGOORRSI-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.96
Rot. Bonds9

About 4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol

4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol (PubChem CID 79360226) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
PubChem CID79360226
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
SMILESCOCCNCc1ccc(OCCC(C)(C)O)cc1
InChIInChI=1S/C15H25NO3/c1-15(2,17)8-10-19-14-6-4-13(5-7-14)12-16-9-11-18-3/h4-7,16-17H,8-12H2,1-3H3
InChIKeyMEFNNMRGOORRSI-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 114491978
2-methyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butan-2-ol
CID 79360041
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39454639
2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine
CID 63190551
4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
N-[[4-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methoxyethanamine
CID 55146817
N-[(4-tert-butylphenyl)methyl]-2-(4-fluorophenoxy)ethanamine
CID 39425420
N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine
CID 82927436
3-[[4-(3,3-dimethylbutoxy)phenyl]methylamino]propanoic acid
CID 66853305
N-[[4-[(E)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]-2-methoxyethanamine
CID 106436928

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol (CID 79360226) is 4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol is COCCNCc1ccc(OCCC(C)(C)O)cc1.
What is the InChIKey of 4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol?
The InChIKey is MEFNNMRGOORRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,17)8-10-19-14-6-4-13(5-7-14)12-16-9-11-18-3/h4-7,16-17H,8-12H2,1-3H3.
What are the key properties of 4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol?
4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 79360226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).