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

C11H17NO4 — CID 107711189

IUPAC2-[1-(2-methoxyethoxyamino)ethyl]benzene-1,3-diol
SMILESCOCCONC(C)c1c(O)cccc1O
InChIInChI=1S/C11H17NO4/c1-8(12-16-7-6-15-2)11-9(13)4-3-5-10(11)14/h3-5,8,12-14H,6-7H2,1-2H3
InChIKeyAZNZUBWAMPRKIR-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.33
Rot. Bonds6

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

2-[1-(2-methoxyethoxyamino)ethyl]benzene-1,3-diol (PubChem CID 107711189) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[1-(2-methoxyethoxyamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-(2-methoxyethoxyamino)ethyl]benzene-1,3-diol
PubChem CID107711189
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[1-(2-methoxyethoxyamino)ethyl]benzene-1,3-diol
SMILESCOCCONC(C)c1c(O)cccc1O
InChIInChI=1S/C11H17NO4/c1-8(12-16-7-6-15-2)11-9(13)4-3-5-10(11)14/h3-5,8,12-14H,6-7H2,1-2H3
InChIKeyAZNZUBWAMPRKIR-UHFFFAOYSA-N
XLogP1.33
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2,6-dihydroxyphenyl)ethylamino]oxyacetamide
CID 107711218
2-methoxy-4-[1-(2-methoxyethoxyamino)ethyl]phenol
CID 82714303
N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine
CID 82715665
1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine
CID 82715428
2,6-dihydroxy-N-(2-methoxyethoxy)benzamide
CID 103890596
4-[2-(2-methoxyethoxyamino)propyl]phenol
CID 82715001
2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol
CID 107711784
N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine
CID 82712468
2-(2-hydroxyphenyl)-N-(2-methoxyethoxy)acetamide
CID 79679652
2,6-dihydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 103748891
N-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine
CID 82714520
2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
CID 107710571

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethoxyamino)ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-(2-methoxyethoxyamino)ethyl]benzene-1,3-diol (CID 107711189) is 2-[1-(2-methoxyethoxyamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-(2-methoxyethoxyamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-(2-methoxyethoxyamino)ethyl]benzene-1,3-diol is COCCONC(C)c1c(O)cccc1O.
What is the InChIKey of 2-[1-(2-methoxyethoxyamino)ethyl]benzene-1,3-diol?
The InChIKey is AZNZUBWAMPRKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-8(12-16-7-6-15-2)11-9(13)4-3-5-10(11)14/h3-5,8,12-14H,6-7H2,1-2H3.
What are the key properties of 2-[1-(2-methoxyethoxyamino)ethyl]benzene-1,3-diol?
2-[1-(2-methoxyethoxyamino)ethyl]benzene-1,3-diol has a molecular weight of 227.26 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethoxyamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107711189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).