N-[(2,5-difluorophenyl)methyl]phthalazin-1-amine

C15H11F2N3 — CID 63793401

IUPACN-[(2,5-difluorophenyl)methyl]phthalazin-1-amine
SMILESFc1ccc(F)c(CNc2nncc3ccccc23)c1
InChIInChI=1S/C15H11F2N3/c16-12-5-6-14(17)11(7-12)8-18-15-13-4-2-1-3-10(13)9-19-20-15/h1-7,9H,8H2,(H,18,20)
InChIKeyDOHHEQIBRUFLHR-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.52
Rot. Bonds3

About N-[(2,5-difluorophenyl)methyl]phthalazin-1-amine

N-[(2,5-difluorophenyl)methyl]phthalazin-1-amine (PubChem CID 63793401) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]phthalazin-1-amine
PubChem CID63793401
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC NameN-[(2,5-difluorophenyl)methyl]phthalazin-1-amine
SMILESFc1ccc(F)c(CNc2nncc3ccccc23)c1
InChIInChI=1S/C15H11F2N3/c16-12-5-6-14(17)11(7-12)8-18-15-13-4-2-1-3-10(13)9-19-20-15/h1-7,9H,8H2,(H,18,20)
InChIKeyDOHHEQIBRUFLHR-UHFFFAOYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[(phthalazin-1-ylamino)methyl]benzonitrile
CID 63359270
N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine
CID 63373228
N-(2,2-difluoroethyl)phthalazin-1-amine
CID 115407622
N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
CID 112675874
N-(cyclopropylmethyl)phthalazin-1-amine
CID 43419855
[4-[(phthalazin-1-ylamino)methyl]phenyl]methanol
CID 107232258
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2,5-difluorophenyl)methyl]phthalazin-1-amine
CID 53182463
2-(phthalazin-1-ylamino)ethanol
CID 2065587
N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine
CID 65417983
4-N-[(2,5-difluorophenyl)methyl]quinoline-3,4-diamine
CID 103963319
1-(2,4-difluorophenyl)phthalazine
CID 175330738
2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine
CID 63795498

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]phthalazin-1-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]phthalazin-1-amine (CID 63793401) is N-[(2,5-difluorophenyl)methyl]phthalazin-1-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]phthalazin-1-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]phthalazin-1-amine is Fc1ccc(F)c(CNc2nncc3ccccc23)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]phthalazin-1-amine?
The InChIKey is DOHHEQIBRUFLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3/c16-12-5-6-14(17)11(7-12)8-18-15-13-4-2-1-3-10(13)9-19-20-15/h1-7,9H,8H2,(H,18,20).
What are the key properties of N-[(2,5-difluorophenyl)methyl]phthalazin-1-amine?
N-[(2,5-difluorophenyl)methyl]phthalazin-1-amine has a molecular weight of 271.27 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]phthalazin-1-amine is sourced from PubChem (CID 63793401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).