N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine

C13H14FN3 — CID 61311370

IUPACN-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine
SMILESCc1ccc(NCCc2ccccc2F)nn1
InChIInChI=1S/C13H14FN3/c1-10-6-7-13(17-16-10)15-9-8-11-4-2-3-5-12(11)14/h2-7H,8-9H2,1H3,(H,15,17)
InChIKeyPDOKFIQYAARTBU-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.58
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine

N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine (PubChem CID 61311370) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine
PubChem CID61311370
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine
SMILESCc1ccc(NCCc2ccccc2F)nn1
InChIInChI=1S/C13H14FN3/c1-10-6-7-13(17-16-10)15-9-8-11-4-2-3-5-12(11)14/h2-7H,8-9H2,1H3,(H,15,17)
InChIKeyPDOKFIQYAARTBU-UHFFFAOYSA-N
XLogP2.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113042536
N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475197
N-(2,3-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121945
3,4-difluoro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
CID 113042530
N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide
CID 109121948
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113743
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074
N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121967
4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908693
6-bromo-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63963216
3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
CID 113042523
6-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109121995

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine (CID 61311370) is N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine is Cc1ccc(NCCc2ccccc2F)nn1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine?
The InChIKey is PDOKFIQYAARTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-10-6-7-13(17-16-10)15-9-8-11-4-2-3-5-12(11)14/h2-7H,8-9H2,1H3,(H,15,17).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine?
N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine has a molecular weight of 231.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine is sourced from PubChem (CID 61311370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).