2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol

C17H19N3O — CID 177223484

IUPAC2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol
SMILESCn1ncc2c(C(O)CNCc3ccccc3)cccc21
InChIInChI=1S/C17H19N3O/c1-20-16-9-5-8-14(15(16)11-19-20)17(21)12-18-10-13-6-3-2-4-7-13/h2-9,11,17-18,21H,10,12H2,1H3
InChIKeyWCUDCDLEXDYBHA-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.40
Rot. Bonds5

About 2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol

2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol (PubChem CID 177223484) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol
PubChem CID177223484
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol
SMILESCn1ncc2c(C(O)CNCc3ccccc3)cccc21
InChIInChI=1S/C17H19N3O/c1-20-16-9-5-8-14(15(16)11-19-20)17(21)12-18-10-13-6-3-2-4-7-13/h2-9,11,17-18,21H,10,12H2,1H3
InChIKeyWCUDCDLEXDYBHA-UHFFFAOYSA-N
XLogP2.40
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol?
The IUPAC name of 2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol (CID 177223484) is 2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol.
What is the SMILES notation for 2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol?
The canonical SMILES for 2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol is Cn1ncc2c(C(O)CNCc3ccccc3)cccc21.
What is the InChIKey of 2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol?
The InChIKey is WCUDCDLEXDYBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-20-16-9-5-8-14(15(16)11-19-20)17(21)12-18-10-13-6-3-2-4-7-13/h2-9,11,17-18,21H,10,12H2,1H3.
What are the key properties of 2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol?
2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol has a molecular weight of 281.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol is sourced from PubChem (CID 177223484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).