2-[2,3-difluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine

C15H23F2N3O — CID 122182212

IUPAC2-[2,3-difluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(N2CCN(C)CC2)cc(F)c1F
InChIInChI=1S/C15H23F2N3O/c1-18(2)8-9-21-14-11-12(10-13(16)15(14)17)20-6-4-19(3)5-7-20/h10-11H,4-9H2,1-3H3
InChIKeyBWPQQUNAHHQNLP-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.66
Rot. Bonds5

About 2-[2,3-difluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine

2-[2,3-difluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine (PubChem CID 122182212) has the molecular formula C15H23F2N3O and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[2,3-difluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2,3-difluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine
PubChem CID122182212
Molecular FormulaC15H23F2N3O
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[2,3-difluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc(N2CCN(C)CC2)cc(F)c1F
InChIInChI=1S/C15H23F2N3O/c1-18(2)8-9-21-14-11-12(10-13(16)15(14)17)20-6-4-19(3)5-7-20/h10-11H,4-9H2,1-3H3
InChIKeyBWPQQUNAHHQNLP-UHFFFAOYSA-N
XLogP1.66
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-difluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2,3-difluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine (CID 122182212) is 2-[2,3-difluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2,3-difluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2,3-difluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1cc(N2CCN(C)CC2)cc(F)c1F.
What is the InChIKey of 2-[2,3-difluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine?
The InChIKey is BWPQQUNAHHQNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O/c1-18(2)8-9-21-14-11-12(10-13(16)15(14)17)20-6-4-19(3)5-7-20/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-[2,3-difluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine?
2-[2,3-difluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine has a molecular weight of 299.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-difluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 122182212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).