4-chloro-N-(1-phenylpropyl)phthalazin-1-amine

C17H16ClN3 — CID 62305245

IUPAC4-chloro-N-(1-phenylpropyl)phthalazin-1-amine
SMILESCCC(Nc1nnc(Cl)c2ccccc12)c1ccccc1
InChIInChI=1S/C17H16ClN3/c1-2-15(12-8-4-3-5-9-12)19-17-14-11-7-6-10-13(14)16(18)20-21-17/h3-11,15H,2H2,1H3,(H,19,21)
InChIKeyFGZYQLUNBNOFLH-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.85
Rot. Bonds4

About 4-chloro-N-(1-phenylpropyl)phthalazin-1-amine

4-chloro-N-(1-phenylpropyl)phthalazin-1-amine (PubChem CID 62305245) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-chloro-N-(1-phenylpropyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-(1-phenylpropyl)phthalazin-1-amine
PubChem CID62305245
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name4-chloro-N-(1-phenylpropyl)phthalazin-1-amine
SMILESCCC(Nc1nnc(Cl)c2ccccc12)c1ccccc1
InChIInChI=1S/C17H16ClN3/c1-2-15(12-8-4-3-5-9-12)19-17-14-11-7-6-10-13(14)16(18)20-21-17/h3-11,15H,2H2,1H3,(H,19,21)
InChIKeyFGZYQLUNBNOFLH-UHFFFAOYSA-N
XLogP4.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-phenylpropyl)phthalazin-1-amine?
The IUPAC name of 4-chloro-N-(1-phenylpropyl)phthalazin-1-amine (CID 62305245) is 4-chloro-N-(1-phenylpropyl)phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-(1-phenylpropyl)phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-(1-phenylpropyl)phthalazin-1-amine is CCC(Nc1nnc(Cl)c2ccccc12)c1ccccc1.
What is the InChIKey of 4-chloro-N-(1-phenylpropyl)phthalazin-1-amine?
The InChIKey is FGZYQLUNBNOFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-2-15(12-8-4-3-5-9-12)19-17-14-11-7-6-10-13(14)16(18)20-21-17/h3-11,15H,2H2,1H3,(H,19,21).
What are the key properties of 4-chloro-N-(1-phenylpropyl)phthalazin-1-amine?
4-chloro-N-(1-phenylpropyl)phthalazin-1-amine has a molecular weight of 297.79 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-phenylpropyl)phthalazin-1-amine is sourced from PubChem (CID 62305245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).