3-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride

C17H19Cl2N3O — CID 23582858

IUPAC3-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCOc1ccc(-n2nc3ccccc3c2Cl)cc1.Cl
InChIInChI=1S/C17H18ClN3O.ClH/c1-19-11-4-12-22-14-9-7-13(8-10-14)21-17(18)15-5-2-3-6-16(15)20-21;/h2-3,5-10,19H,4,11-12H2,1H3;1H
InChIKeyQCWDKKBKTNZXLP-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.09
Rot. Bonds6

About 3-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride

3-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride (PubChem CID 23582858) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.26 g/mol. Its IUPAC name is 3-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride
PubChem CID23582858
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.26 g/mol
Exact Mass351.09
IUPAC Name3-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCOc1ccc(-n2nc3ccccc3c2Cl)cc1.Cl
InChIInChI=1S/C17H18ClN3O.ClH/c1-19-11-4-12-22-14-9-7-13(8-10-14)21-17(18)15-5-2-3-6-16(15)20-21;/h2-3,5-10,19H,4,11-12H2,1H3;1H
InChIKeyQCWDKKBKTNZXLP-UHFFFAOYSA-N
XLogP4.09
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride 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 3-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride?
The IUPAC name of 3-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride (CID 23582858) is 3-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride is CNCCCOc1ccc(-n2nc3ccccc3c2Cl)cc1.Cl.
What is the InChIKey of 3-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride?
The InChIKey is QCWDKKBKTNZXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O.ClH/c1-19-11-4-12-22-14-9-7-13(8-10-14)21-17(18)15-5-2-3-6-16(15)20-21;/h2-3,5-10,19H,4,11-12H2,1H3;1H.
What are the key properties of 3-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride?
3-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride has a molecular weight of 352.26 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chloroindazol-2-yl)phenoxy]-N-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 23582858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).