4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine

C16H13Cl2N3 — CID 62142134

IUPAC4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine
SMILESCC(Nc1nnc(Cl)c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2N3/c1-10(11-6-8-12(17)9-7-11)19-16-14-5-3-2-4-13(14)15(18)20-21-16/h2-10H,1H3,(H,19,21)
InChIKeyIKCWEPYUDYHZPL-UHFFFAOYSA-N
MW318.21 g/mol
LogP5.11
Rot. Bonds3

About 4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine

4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine (PubChem CID 62142134) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine
PubChem CID62142134
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine
SMILESCC(Nc1nnc(Cl)c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2N3/c1-10(11-6-8-12(17)9-7-11)19-16-14-5-3-2-4-13(14)15(18)20-21-16/h2-10H,1H3,(H,19,21)
InChIKeyIKCWEPYUDYHZPL-UHFFFAOYSA-N
XLogP5.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.21
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(2-fluorophenyl)ethyl]phthalazin-1-amine
CID 62142318
4-chloro-N-[1-(2-chlorophenyl)ethyl]phthalazin-1-amine
CID 62142132
4-chloro-N-(1-phenylpropyl)phthalazin-1-amine
CID 62305245
4-chloro-N-(1-cyclopropylethyl)phthalazin-1-amine
CID 62141541
6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 63729135
4-chloro-N-ethylphthalazin-1-amine
CID 62140798
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine
CID 121313849
4-chloro-N-(3-methylsulfanylbutyl)phthalazin-1-amine
CID 113494204
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
4-[(4-chlorophthalazin-1-yl)amino]-3-methylbutan-1-ol
CID 66108447
6-chloro-N-[1-(4-chlorophenyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63728979
N-[1-(4-chlorophenyl)ethyl]-2-methylquinolin-4-amine
CID 60716471

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine?
The IUPAC name of 4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine (CID 62142134) is 4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine is CC(Nc1nnc(Cl)c2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine?
The InChIKey is IKCWEPYUDYHZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c1-10(11-6-8-12(17)9-7-11)19-16-14-5-3-2-4-13(14)15(18)20-21-16/h2-10H,1H3,(H,19,21).
What are the key properties of 4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine?
4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine has a molecular weight of 318.21 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-chlorophenyl)ethyl]phthalazin-1-amine is sourced from PubChem (CID 62142134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).