1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol

C16H19NO3 — CID 62265588

IUPAC1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
SMILESCOc1cc(C)ccc1OCC(O)c1ccc(N)cc1
InChIInChI=1S/C16H19NO3/c1-11-3-8-15(16(9-11)19-2)20-10-14(18)12-4-6-13(17)7-5-12/h3-9,14,18H,10,17H2,1-2H3
InChIKeyVQFLCEMZTFFITL-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.70
Rot. Bonds5

About 1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol

1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol (PubChem CID 62265588) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
PubChem CID62265588
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
SMILESCOc1cc(C)ccc1OCC(O)c1ccc(N)cc1
InChIInChI=1S/C16H19NO3/c1-11-3-8-15(16(9-11)19-2)20-10-14(18)12-4-6-13(17)7-5-12/h3-9,14,18H,10,17H2,1-2H3
InChIKeyVQFLCEMZTFFITL-UHFFFAOYSA-N
XLogP2.70
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 109414138
1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol
CID 123389695
(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347
1-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)ethanol
CID 62265767
2-(2-amino-4-methylphenoxy)-1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 46307322
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethoxy]-3-methoxyphenyl]ethanone
CID 109414325
2-(2-methoxy-4-methylphenoxy)-1-(3-nitrophenyl)ethanol
CID 109414141
1-(4-aminophenyl)-2-(2,4-dibromophenoxy)ethanol
CID 64718642
1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 63907448
1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 107663977
3-(4-amino-2-methoxyphenoxy)propane-1,2-diol
CID 82842415

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol (CID 62265588) is 1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol is COc1cc(C)ccc1OCC(O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol?
The InChIKey is VQFLCEMZTFFITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-3-8-15(16(9-11)19-2)20-10-14(18)12-4-6-13(17)7-5-12/h3-9,14,18H,10,17H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol?
1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol has a molecular weight of 273.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol is sourced from PubChem (CID 62265588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).