N-[(1R)-1-(4-fluoro-2,6-dimethylphenyl)ethyl]-4,6-dimethylpyridazin-3-amine

C16H20FN3 — CID 134391658

IUPACN-[(1R)-1-(4-fluoro-2,6-dimethylphenyl)ethyl]-4,6-dimethylpyridazin-3-amine
SMILESCc1cc(C)c(N[C@H](C)c2c(C)cc(F)cc2C)nn1
InChIInChI=1S/C16H20FN3/c1-9-7-14(17)8-10(2)15(9)13(5)18-16-11(3)6-12(4)19-20-16/h6-8,13H,1-5H3,(H,18,20)/t13-/m1/s1
InChIKeyTWPHCDPMXVMOLB-CYBMUJFWSA-N
MW273.36 g/mol
LogP4.02
Rot. Bonds3

About N-[(1R)-1-(4-fluoro-2,6-dimethylphenyl)ethyl]-4,6-dimethylpyridazin-3-amine

N-[(1R)-1-(4-fluoro-2,6-dimethylphenyl)ethyl]-4,6-dimethylpyridazin-3-amine (PubChem CID 134391658) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluoro-2,6-dimethylphenyl)ethyl]-4,6-dimethylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluoro-2,6-dimethylphenyl)ethyl]-4,6-dimethylpyridazin-3-amine
PubChem CID134391658
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC NameN-[(1R)-1-(4-fluoro-2,6-dimethylphenyl)ethyl]-4,6-dimethylpyridazin-3-amine
SMILESCc1cc(C)c(N[C@H](C)c2c(C)cc(F)cc2C)nn1
InChIInChI=1S/C16H20FN3/c1-9-7-14(17)8-10(2)15(9)13(5)18-16-11(3)6-12(4)19-20-16/h6-8,13H,1-5H3,(H,18,20)/t13-/m1/s1
InChIKeyTWPHCDPMXVMOLB-CYBMUJFWSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluoro-2,6-dimethylphenyl)ethyl]-4,6-dimethylpyridazin-3-amine?
The IUPAC name of N-[(1R)-1-(4-fluoro-2,6-dimethylphenyl)ethyl]-4,6-dimethylpyridazin-3-amine (CID 134391658) is N-[(1R)-1-(4-fluoro-2,6-dimethylphenyl)ethyl]-4,6-dimethylpyridazin-3-amine.
What is the SMILES notation for N-[(1R)-1-(4-fluoro-2,6-dimethylphenyl)ethyl]-4,6-dimethylpyridazin-3-amine?
The canonical SMILES for N-[(1R)-1-(4-fluoro-2,6-dimethylphenyl)ethyl]-4,6-dimethylpyridazin-3-amine is Cc1cc(C)c(N[C@H](C)c2c(C)cc(F)cc2C)nn1.
What is the InChIKey of N-[(1R)-1-(4-fluoro-2,6-dimethylphenyl)ethyl]-4,6-dimethylpyridazin-3-amine?
The InChIKey is TWPHCDPMXVMOLB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20FN3/c1-9-7-14(17)8-10(2)15(9)13(5)18-16-11(3)6-12(4)19-20-16/h6-8,13H,1-5H3,(H,18,20)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluoro-2,6-dimethylphenyl)ethyl]-4,6-dimethylpyridazin-3-amine?
N-[(1R)-1-(4-fluoro-2,6-dimethylphenyl)ethyl]-4,6-dimethylpyridazin-3-amine has a molecular weight of 273.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluoro-2,6-dimethylphenyl)ethyl]-4,6-dimethylpyridazin-3-amine is sourced from PubChem (CID 134391658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).