3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride

C20H24ClN3O — CID 6410586

IUPAC3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCOc1nnc(Cc2ccccc2)c2ccccc12.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-23(2)13-8-14-24-20-18-12-7-6-11-17(18)19(21-22-20)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H
InChIKeyAYFYGWWHDOMULX-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.97
Rot. Bonds7

About 3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride

3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 6410586) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID6410586
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCOc1nnc(Cc2ccccc2)c2ccccc12.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-23(2)13-8-14-24-20-18-12-7-6-11-17(18)19(21-22-20)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H
InChIKeyAYFYGWWHDOMULX-UHFFFAOYSA-N
XLogP3.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride (CID 6410586) is 3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride is CN(C)CCCOc1nnc(Cc2ccccc2)c2ccccc12.Cl.
What is the InChIKey of 3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is AYFYGWWHDOMULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.ClH/c1-23(2)13-8-14-24-20-18-12-7-6-11-17(18)19(21-22-20)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H.
What are the key properties of 3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride?
3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 6410586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).