N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine

C15H18FN3 — CID 175308244

IUPACN-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(NCC(C)(C)c2ccc(F)cc2)c1
InChIInChI=1S/C15H18FN3/c1-11-8-14(19-18-9-11)17-10-15(2,3)12-4-6-13(16)7-5-12/h4-9H,10H2,1-3H3,(H,17,19)
InChIKeyUVKARJFRXDBNCT-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.31
Rot. Bonds4

About N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine

N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine (PubChem CID 175308244) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine
PubChem CID175308244
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine
SMILESCc1cnnc(NCC(C)(C)c2ccc(F)cc2)c1
InChIInChI=1S/C15H18FN3/c1-11-8-14(19-18-9-11)17-10-15(2,3)12-4-6-13(16)7-5-12/h4-9H,10H2,1-3H3,(H,17,19)
InChIKeyUVKARJFRXDBNCT-UHFFFAOYSA-N
XLogP3.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine (CID 175308244) is N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine is Cc1cnnc(NCC(C)(C)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine?
The InChIKey is UVKARJFRXDBNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-11-8-14(19-18-9-11)17-10-15(2,3)12-4-6-13(16)7-5-12/h4-9H,10H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine?
N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine has a molecular weight of 259.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-methylpropyl]-5-methylpyridazin-3-amine is sourced from PubChem (CID 175308244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).