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

2-(phenoxymethyl)-4-phenyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol
CID 118706772
4-methyl-1-[(1-methyl(1H-indazol-3-yl))methoxy]benzene
CID 673273
2-[[(1,3-Dimethylindazol-6-yl)amino]methyl]-5-methoxyphenol
CID 172461249
3-[(4-Fluorophenoxy)methyl]-1-methylindazole
CID 65847487
2-fluoro-4-(4-fluoro-1-methylindazol-3-yl)-N-methyl-4-phenoxy-N-prop-2-enylbut-2-en-1-amine
CID 67596995
1-Methyl-3-[[4-(trifluoromethoxy)phenoxy]methyl]indazole
CID 153407608
2-[2-[[5-[3-(Aminomethyl)-2-fluorophenyl]-1-methylindazol-3-yl]methoxy]-4-methoxyphenyl]ethane-1,1-diol
CID 156725185
3-[(4-Methoxyphenyl)methoxy]-1-(4,4,4-trifluorobutyl)indazol-7-ol
CID 165392178
Methyl 5-[1-(3,5-difluorophenyl)ethoxy]-1-(oxan-2-yl)indazole-3-carboximidate
CID 172164966
[5-(3,5-Dimethoxyphenyl)-1-[(2-ethoxy-6-fluorophenyl)methyl]pyrazol-3-yl]methanol
CID 172210879
3-[[2-Fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]-1-methylindazole
CID 175841891
4-[(1-Ethylindazol-3-yl)methoxy]-3-fluoroaniline
CID 65835685

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).