1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone

C16H17NO3 — CID 107711840

IUPAC1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccccc2CCO)cc1N
InChIInChI=1S/C16H17NO3/c1-11(19)14-7-6-13(10-15(14)17)20-16-5-3-2-4-12(16)8-9-18/h2-7,10,18H,8-9,17H2,1H3
InChIKeyDUPRBHKFZAVUPU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.80
Rot. Bonds5

About 1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone

1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone (PubChem CID 107711840) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone
PubChem CID107711840
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccccc2CCO)cc1N
InChIInChI=1S/C16H17NO3/c1-11(19)14-7-6-13(10-15(14)17)20-16-5-3-2-4-12(16)8-9-18/h2-7,10,18H,8-9,17H2,1H3
InChIKeyDUPRBHKFZAVUPU-UHFFFAOYSA-N
XLogP2.80
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.80
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-ethoxyphenoxy)phenyl]ethanol
CID 107712098
2-[2-(4-amino-3-propoxyphenoxy)phenyl]ethanol
CID 107712031
2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzamide
CID 107713704
2-bromo-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712613
1-[2-amino-4-(4-iodophenoxy)phenyl]ethanone
CID 113423320
1-[2-amino-4-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 104529311
2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol
CID 70462198
3-amino-4-[2-(2-hydroxyethyl)phenoxy]benzoic acid
CID 107713832
2-amino-4-(2-phenylphenoxy)benzoic acid
CID 175030921
1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone
CID 113433083
1-[2-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 104529281
methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate
CID 107713839

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone (CID 107711840) is 1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone is CC(=O)c1ccc(Oc2ccccc2CCO)cc1N.
What is the InChIKey of 1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone?
The InChIKey is DUPRBHKFZAVUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(19)14-7-6-13(10-15(14)17)20-16-5-3-2-4-12(16)8-9-18/h2-7,10,18H,8-9,17H2,1H3.
What are the key properties of 1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone?
1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone has a molecular weight of 271.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[2-(2-hydroxyethyl)phenoxy]phenyl]ethanone is sourced from PubChem (CID 107711840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).