2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol

C15H17NO3 — CID 107711187

IUPAC2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol
SMILESCC(NOCc1ccccc1)c1c(O)cccc1O
InChIInChI=1S/C15H17NO3/c1-11(15-13(17)8-5-9-14(15)18)16-19-10-12-6-3-2-4-7-12/h2-9,11,16-18H,10H2,1H3
InChIKeyUOMLIXUEQAYYRL-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.88
Rot. Bonds5

About 2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol

2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol (PubChem CID 107711187) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol
PubChem CID107711187
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol
SMILESCC(NOCc1ccccc1)c1c(O)cccc1O
InChIInChI=1S/C15H17NO3/c1-11(15-13(17)8-5-9-14(15)18)16-19-10-12-6-3-2-4-7-12/h2-9,11,16-18H,10H2,1H3
InChIKeyUOMLIXUEQAYYRL-UHFFFAOYSA-N
XLogP2.88
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(phenylmethoxyamino)ethylphosphonous acid
CID 19880141
2-[1-(2,6-dihydroxyphenyl)ethylamino]oxyacetamide
CID 107711218
1-[4-(2-methylpropyl)phenyl]-N-phenylmethoxyethanamine
CID 82712557
N-phenylmethoxy-1-(2,4,5-trimethylphenyl)ethanamine
CID 82708946
[4-[1-(phenylmethoxyamino)ethyl]phenyl]urea
CID 82712739
4-phenyl-N-phenylmethoxybutan-2-amine
CID 82709894
ethyl (2S)-2-(phenylmethoxyamino)propanoate
CID 100999718
benzyl 3-(phenylmethoxyamino)butanoate
CID 13184090
1-(2,5-difluoro-4-methylphenyl)-N-phenylmethoxyethanamine
CID 82710401
N-phenyl-2-(phenylmethoxyamino)propanamide
CID 60682905
3-methyl-4-oxo-2-(phenylmethoxyamino)butanoic acid
CID 174388539
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenylmethoxyethanamine
CID 82712701

Frequently Asked Questions

What is the IUPAC name of 2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol (CID 107711187) is 2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol is CC(NOCc1ccccc1)c1c(O)cccc1O.
What is the InChIKey of 2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol?
The InChIKey is UOMLIXUEQAYYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11(15-13(17)8-5-9-14(15)18)16-19-10-12-6-3-2-4-7-12/h2-9,11,16-18H,10H2,1H3.
What are the key properties of 2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol?
2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol has a molecular weight of 259.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(phenylmethoxyamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107711187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).