1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol

C17H19N3O — CID 106695746

IUPAC1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol
SMILESCCn1nc(CC(O)c2cccc(N)c2)c2ccccc21
InChIInChI=1S/C17H19N3O/c1-2-20-16-9-4-3-8-14(16)15(19-20)11-17(21)12-6-5-7-13(18)10-12/h3-10,17,21H,2,11,18H2,1H3
InChIKeyMTCDSDDTWQASNX-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.91
Rot. Bonds4

About 1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol

1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol (PubChem CID 106695746) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol
PubChem CID106695746
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol
SMILESCCn1nc(CC(O)c2cccc(N)c2)c2ccccc21
InChIInChI=1S/C17H19N3O/c1-2-20-16-9-4-3-8-14(16)15(19-20)11-17(21)12-6-5-7-13(18)10-12/h3-10,17,21H,2,11,18H2,1H3
InChIKeyMTCDSDDTWQASNX-UHFFFAOYSA-N
XLogP2.91
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657
1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 106695853
1-(dimethylamino)-3-(1-ethylindazol-3-yl)propan-2-ol
CID 79087674
1-(3-bromofuran-2-yl)-2-(1-ethylindazol-3-yl)ethanol
CID 106886306
3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
1-(1-ethylindazol-3-yl)-4-methylhexan-2-ol
CID 115813664
1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 106695795
1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 106695693
1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712988
[2-(1-ethylindazol-3-yl)-1-pyridin-3-ylethyl]hydrazine
CID 105196321
2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol
CID 66059172
3-(1-ethylindazol-3-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092614

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol (CID 106695746) is 1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol is CCn1nc(CC(O)c2cccc(N)c2)c2ccccc21.
What is the InChIKey of 1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol?
The InChIKey is MTCDSDDTWQASNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-20-16-9-4-3-8-14(16)15(19-20)11-17(21)12-6-5-7-13(18)10-12/h3-10,17,21H,2,11,18H2,1H3.
What are the key properties of 1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol?
1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol has a molecular weight of 281.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(1-ethylindazol-3-yl)ethanol is sourced from PubChem (CID 106695746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).