2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol

C16H19NO3 — CID 107712098

IUPAC2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol
SMILESCCOc1cc(Oc2ccccc2CCO)ccc1N
InChIInChI=1S/C16H19NO3/c1-2-19-16-11-13(7-8-14(16)17)20-15-6-4-3-5-12(15)9-10-18/h3-8,11,18H,2,9-10,17H2,1H3
InChIKeyCUDPKCJMTVETLR-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.99
Rot. Bonds6

About 2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol

2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol (PubChem CID 107712098) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol
PubChem CID107712098
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol
SMILESCCOc1cc(Oc2ccccc2CCO)ccc1N
InChIInChI=1S/C16H19NO3/c1-2-19-16-11-13(7-8-14(16)17)20-15-6-4-3-5-12(15)9-10-18/h3-8,11,18H,2,9-10,17H2,1H3
InChIKeyCUDPKCJMTVETLR-UHFFFAOYSA-N
XLogP2.99
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.99
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

2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol
CID 107712031
2-[2-(2-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107711901
2-ethoxy-4-(2-iodophenoxy)aniline
CID 63675223
1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone
CID 107711840
2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol
CID 107712095
2-(4-amino-3-ethoxyphenoxy)ethanol
CID 21422991
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide
CID 107711871
2-ethoxy-4-(4-propylphenoxy)aniline
CID 63675228
4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline
CID 63676329
4-(3,4-dimethylphenoxy)-2-ethoxyaniline
CID 63676735
4-(3,5-dimethylphenoxy)-2-ethoxyaniline
CID 63676933

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol?
The IUPAC name of 2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol (CID 107712098) is 2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol.
What is the SMILES notation for 2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol?
The canonical SMILES for 2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol is CCOc1cc(Oc2ccccc2CCO)ccc1N.
What is the InChIKey of 2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol?
The InChIKey is CUDPKCJMTVETLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-19-16-11-13(7-8-14(16)17)20-15-6-4-3-5-12(15)9-10-18/h3-8,11,18H,2,9-10,17H2,1H3.
What are the key properties of 2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol?
2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol has a molecular weight of 273.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol is sourced from PubChem (CID 107712098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).