1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol

C11H17N3O2 — CID 19098775

IUPAC1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol
SMILESCCC(O)COc1ccc(/N=N/C)cc1N
InChIInChI=1S/C11H17N3O2/c1-3-9(15)7-16-11-5-4-8(14-13-2)6-10(11)12/h4-6,9,15H,3,7,12H2,1-2H3/b14-13+
InChIKeyBJBKZCBKXRTLJI-BUHFOSPRSA-N
MW223.28 g/mol
LogP2.13
Rot. Bonds5

About 1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol

1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol (PubChem CID 19098775) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol
PubChem CID19098775
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol
SMILESCCC(O)COc1ccc(/N=N/C)cc1N
InChIInChI=1S/C11H17N3O2/c1-3-9(15)7-16-11-5-4-8(14-13-2)6-10(11)12/h4-6,9,15H,3,7,12H2,1-2H3/b14-13+
InChIKeyBJBKZCBKXRTLJI-BUHFOSPRSA-N
XLogP2.13
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-3-(2,4-diaminophenoxy)propan-2-ol
CID 19835524
[3-(2,4-diaminophenoxy)-2-hydroxypropyl]-triethylazanium chloride
CID 141054171
[3-(2,4-diaminophenoxy)-2-hydroxypropyl]-triethylazanium bromide
CID 141054164
1-(2,4-diiodophenoxy)butan-2-ol
CID 22313365
1-[2-(aminomethyl)-4-methylphenoxy]butan-2-ol
CID 63322818
2-(2,2-difluoroethoxy)-5-methylaniline
CID 19622888
1-(2-bromo-4-fluorophenoxy)butan-2-ol
CID 60880483
1-(2-ethoxyphenoxy)butan-2-ol
CID 60878017
2-(2-hydroxybutoxy)phenol
CID 58593134
1-(4-bromo-2-chlorophenoxy)butan-2-ol
CID 60878201
1-(2-bromo-4-chlorophenoxy)butan-2-ol
CID 60880670
1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
CID 107698659

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol?
The IUPAC name of 1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol (CID 19098775) is 1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol.
What is the SMILES notation for 1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol?
The canonical SMILES for 1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol is CCC(O)COc1ccc(/N=N/C)cc1N.
What is the InChIKey of 1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol?
The InChIKey is BJBKZCBKXRTLJI-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-9(15)7-16-11-5-4-8(14-13-2)6-10(11)12/h4-6,9,15H,3,7,12H2,1-2H3/b14-13+.
What are the key properties of 1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol?
1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol has a molecular weight of 223.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(methyldiazenyl)phenoxy]butan-2-ol is sourced from PubChem (CID 19098775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).