2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol

C17H21NO4 — CID 46307253

IUPAC2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C(O)COc2ccccc2N)c(OC)cc1C
InChIInChI=1S/C17H21NO4/c1-11-8-17(21-3)12(9-16(11)20-2)14(19)10-22-15-7-5-4-6-13(15)18/h4-9,14,19H,10,18H2,1-3H3
InChIKeyRLUWPQMKYXUQRF-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.71
Rot. Bonds6

About 2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol

2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol (PubChem CID 46307253) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol
PubChem CID46307253
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C(O)COc2ccccc2N)c(OC)cc1C
InChIInChI=1S/C17H21NO4/c1-11-8-17(21-3)12(9-16(11)20-2)14(19)10-22-15-7-5-4-6-13(15)18/h4-9,14,19H,10,18H2,1-3H3
InChIKeyRLUWPQMKYXUQRF-UHFFFAOYSA-N
XLogP2.71
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654
1-(2-aminophenyl)-2-(4-bromo-2-methylphenoxy)ethanol
CID 63216911
2-(2-amino-4-methylphenoxy)-1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 46307322
2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 105124244
1-(2-aminophenoxy)-3-(2-fluoro-5-methylphenoxy)propan-2-ol
CID 64855185
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 65434708
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanol
CID 63038192
2-methoxyaniline;dihydrochloride
CID 69020746
1-(2-aminophenoxy)-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
CID 104560220
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol
CID 105124333
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol?
The IUPAC name of 2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol (CID 46307253) is 2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol?
The canonical SMILES for 2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol is COc1cc(C(O)COc2ccccc2N)c(OC)cc1C.
What is the InChIKey of 2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol?
The InChIKey is RLUWPQMKYXUQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-11-8-17(21-3)12(9-16(11)20-2)14(19)10-22-15-7-5-4-6-13(15)18/h4-9,14,19H,10,18H2,1-3H3.
What are the key properties of 2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol?
2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol has a molecular weight of 303.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-1-(2,5-dimethoxy-4-methylphenyl)ethanol is sourced from PubChem (CID 46307253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).