2-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride

C19H22ClN3O — CID 6410584

IUPAC2-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOc1nnc(Cc2ccccc2)c2ccccc12.Cl
InChIInChI=1S/C19H21N3O.ClH/c1-22(2)12-13-23-19-17-11-7-6-10-16(17)18(20-21-19)14-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H
InChIKeyZTNGQMBILCTSQV-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.58
Rot. Bonds6

About 2-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride

2-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride (PubChem CID 6410584) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride
PubChem CID6410584
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOc1nnc(Cc2ccccc2)c2ccccc12.Cl
InChIInChI=1S/C19H21N3O.ClH/c1-22(2)12-13-23-19-17-11-7-6-10-16(17)18(20-21-19)14-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H
InChIKeyZTNGQMBILCTSQV-UHFFFAOYSA-N
XLogP3.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride (CID 6410584) is 2-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride is CN(C)CCOc1nnc(Cc2ccccc2)c2ccccc12.Cl.
What is the InChIKey of 2-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride?
The InChIKey is ZTNGQMBILCTSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O.ClH/c1-22(2)12-13-23-19-17-11-7-6-10-16(17)18(20-21-19)14-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H.
What are the key properties of 2-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride?
2-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 6410584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).