N-[(4-fluorophenyl)methyl]phthalazin-1-amine

C15H12FN3 — CID 43395079

IUPACN-[(4-fluorophenyl)methyl]phthalazin-1-amine
SMILESFc1ccc(CNc2nncc3ccccc23)cc1
InChIInChI=1S/C15H12FN3/c16-13-7-5-11(6-8-13)9-17-15-14-4-2-1-3-12(14)10-18-19-15/h1-8,10H,9H2,(H,17,19)
InChIKeySVYZOPCRUHUGEM-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.38
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]phthalazin-1-amine

N-[(4-fluorophenyl)methyl]phthalazin-1-amine (PubChem CID 43395079) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]phthalazin-1-amine
PubChem CID43395079
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC NameN-[(4-fluorophenyl)methyl]phthalazin-1-amine
SMILESFc1ccc(CNc2nncc3ccccc23)cc1
InChIInChI=1S/C15H12FN3/c16-13-7-5-11(6-8-13)9-17-15-14-4-2-1-3-12(14)10-18-19-15/h1-8,10H,9H2,(H,17,19)
InChIKeySVYZOPCRUHUGEM-UHFFFAOYSA-N
XLogP3.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]phthalazin-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]phthalazin-1-amine (CID 43395079) is N-[(4-fluorophenyl)methyl]phthalazin-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]phthalazin-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]phthalazin-1-amine is Fc1ccc(CNc2nncc3ccccc23)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]phthalazin-1-amine?
The InChIKey is SVYZOPCRUHUGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-13-7-5-11(6-8-13)9-17-15-14-4-2-1-3-12(14)10-18-19-15/h1-8,10H,9H2,(H,17,19).
What are the key properties of N-[(4-fluorophenyl)methyl]phthalazin-1-amine?
N-[(4-fluorophenyl)methyl]phthalazin-1-amine has a molecular weight of 253.28 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]phthalazin-1-amine is sourced from PubChem (CID 43395079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).