4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine

C15H20ClN3 — CID 79470782

IUPAC4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine
SMILESCCC(C)CN(CC)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H20ClN3/c1-4-11(3)10-19(5-2)15-13-9-7-6-8-12(13)14(16)17-18-15/h6-9,11H,4-5,10H2,1-3H3
InChIKeyUWGKMYLAEOYJJG-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.16
Rot. Bonds5

About 4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine

4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine (PubChem CID 79470782) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine
PubChem CID79470782
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine
SMILESCCC(C)CN(CC)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C15H20ClN3/c1-4-11(3)10-19(5-2)15-13-9-7-6-8-12(13)14(16)17-18-15/h6-9,11H,4-5,10H2,1-3H3
InChIKeyUWGKMYLAEOYJJG-UHFFFAOYSA-N
XLogP4.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine?
The IUPAC name of 4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine (CID 79470782) is 4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine is CCC(C)CN(CC)c1nnc(Cl)c2ccccc12.
What is the InChIKey of 4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine?
The InChIKey is UWGKMYLAEOYJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-4-11(3)10-19(5-2)15-13-9-7-6-8-12(13)14(16)17-18-15/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine?
4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine has a molecular weight of 277.80 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine is sourced from PubChem (CID 79470782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).