N-[1-(3-fluorophenyl)ethyl]phthalazin-1-amine

C16H14FN3 — CID 60631385

IUPACN-[1-(3-fluorophenyl)ethyl]phthalazin-1-amine
SMILESCC(Nc1nncc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C16H14FN3/c1-11(12-6-4-7-14(17)9-12)19-16-15-8-3-2-5-13(15)10-18-20-16/h2-11H,1H3,(H,19,20)
InChIKeyXPIVMCBGOQEGDI-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.94
Rot. Bonds3

About N-[1-(3-fluorophenyl)ethyl]phthalazin-1-amine

N-[1-(3-fluorophenyl)ethyl]phthalazin-1-amine (PubChem CID 60631385) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]phthalazin-1-amine
PubChem CID60631385
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC NameN-[1-(3-fluorophenyl)ethyl]phthalazin-1-amine
SMILESCC(Nc1nncc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C16H14FN3/c1-11(12-6-4-7-14(17)9-12)19-16-15-8-3-2-5-13(15)10-18-20-16/h2-11H,1H3,(H,19,20)
InChIKeyXPIVMCBGOQEGDI-UHFFFAOYSA-N
XLogP3.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]phthalazin-1-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]phthalazin-1-amine (CID 60631385) is N-[1-(3-fluorophenyl)ethyl]phthalazin-1-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]phthalazin-1-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]phthalazin-1-amine is CC(Nc1nncc2ccccc12)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]phthalazin-1-amine?
The InChIKey is XPIVMCBGOQEGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-11(12-6-4-7-14(17)9-12)19-16-15-8-3-2-5-13(15)10-18-20-16/h2-11H,1H3,(H,19,20).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]phthalazin-1-amine?
N-[1-(3-fluorophenyl)ethyl]phthalazin-1-amine has a molecular weight of 267.31 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]phthalazin-1-amine is sourced from PubChem (CID 60631385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).