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

C17H16ClN3 — CID 63548010

IUPAC4-chloro-N-ethyl-N-(2-methylphenyl)phthalazin-1-amine
SMILESCCN(c1ccccc1C)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C17H16ClN3/c1-3-21(15-11-7-4-8-12(15)2)17-14-10-6-5-9-13(14)16(18)19-20-17/h4-11H,3H2,1-2H3
InChIKeyWWTVWUYBYMSRTD-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.75
Rot. Bonds3

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

4-chloro-N-ethyl-N-(2-methylphenyl)phthalazin-1-amine (PubChem CID 63548010) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-(2-methylphenyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-(2-methylphenyl)phthalazin-1-amine
PubChem CID63548010
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name4-chloro-N-ethyl-N-(2-methylphenyl)phthalazin-1-amine
SMILESCCN(c1ccccc1C)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C17H16ClN3/c1-3-21(15-11-7-4-8-12(15)2)17-14-10-6-5-9-13(14)16(18)19-20-17/h4-11H,3H2,1-2H3
InChIKeyWWTVWUYBYMSRTD-UHFFFAOYSA-N
XLogP4.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.75
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-methylphenyl)phthalazin-1-amine?
The IUPAC name of 4-chloro-N-ethyl-N-(2-methylphenyl)phthalazin-1-amine (CID 63548010) is 4-chloro-N-ethyl-N-(2-methylphenyl)phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-ethyl-N-(2-methylphenyl)phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-ethyl-N-(2-methylphenyl)phthalazin-1-amine is CCN(c1ccccc1C)c1nnc(Cl)c2ccccc12.
What is the InChIKey of 4-chloro-N-ethyl-N-(2-methylphenyl)phthalazin-1-amine?
The InChIKey is WWTVWUYBYMSRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-3-21(15-11-7-4-8-12(15)2)17-14-10-6-5-9-13(14)16(18)19-20-17/h4-11H,3H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-N-(2-methylphenyl)phthalazin-1-amine?
4-chloro-N-ethyl-N-(2-methylphenyl)phthalazin-1-amine has a molecular weight of 297.79 g/mol, XLogP of 4.75, 3 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-methylphenyl)phthalazin-1-amine is sourced from PubChem (CID 63548010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).