2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol

C16H17N3O2 — CID 114764441

IUPAC2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol
SMILESCCn1nc(COc2cccc(O)c2N)c2ccccc21
InChIInChI=1S/C16H17N3O2/c1-2-19-13-7-4-3-6-11(13)12(18-19)10-21-15-9-5-8-14(20)16(15)17/h3-9,20H,2,10,17H2,1H3
InChIKeyMYBJISUDIXURPW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.92
Rot. Bonds4

About 2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol

2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol (PubChem CID 114764441) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol.

Molecular Properties

Compound Name2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol
PubChem CID114764441
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol
SMILESCCn1nc(COc2cccc(O)c2N)c2ccccc21
InChIInChI=1S/C16H17N3O2/c1-2-19-13-7-4-3-6-11(13)12(18-19)10-21-15-9-5-8-14(20)16(15)17/h3-9,20H,2,10,17H2,1H3
InChIKeyMYBJISUDIXURPW-UHFFFAOYSA-N
XLogP2.92
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol
CID 106695746
1-[(1-ethylindazol-3-yl)methyl]cyclopropan-1-amine
CID 66025770
[4-[(1-ethylindazol-3-yl)methoxy]cyclohexyl]methanol
CID 106825216
2-[(1-ethylindazol-3-yl)methyl]-2-methylpropane-1,3-diol
CID 79449826
[1-[(1-ethylindazol-3-yl)methyl]cyclopropyl]methanamine
CID 66026848
4-amino-1-(1-ethylindazol-3-yl)-4-methylpentan-2-one
CID 116581243
1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 104879569
2-amino-3-[(4-methylphenyl)methoxy]phenol
CID 114764418
4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443594
1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657
5-amino-1-(1-ethylindazol-3-yl)-2-(methoxymethyl)pentan-2-ol
CID 103391529
6-amino-1-(1-ethylindazol-3-yl)hexan-2-one
CID 116572138

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol?
The IUPAC name of 2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol (CID 114764441) is 2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol.
What is the SMILES notation for 2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol?
The canonical SMILES for 2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol is CCn1nc(COc2cccc(O)c2N)c2ccccc21.
What is the InChIKey of 2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol?
The InChIKey is MYBJISUDIXURPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-19-13-7-4-3-6-11(13)12(18-19)10-21-15-9-5-8-14(20)16(15)17/h3-9,20H,2,10,17H2,1H3.
What are the key properties of 2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol?
2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol has a molecular weight of 283.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1-ethylindazol-3-yl)methoxy]phenol is sourced from PubChem (CID 114764441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).