N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine

C15H18FN3 — CID 105142994

IUPACN-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)c1ccc(F)c(C)c1
InChIInChI=1S/C15H18FN3/c1-3-7-17-15(13-6-8-18-19-10-13)12-4-5-14(16)11(2)9-12/h4-6,8-10,15,17H,3,7H2,1-2H3
InChIKeyKAPQWUWMXUPONI-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.01
Rot. Bonds5

About N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine

N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine (PubChem CID 105142994) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
PubChem CID105142994
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)c1ccc(F)c(C)c1
InChIInChI=1S/C15H18FN3/c1-3-7-17-15(13-6-8-18-19-10-13)12-4-5-14(16)11(2)9-12/h4-6,8-10,15,17H,3,7H2,1-2H3
InChIKeyKAPQWUWMXUPONI-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 60929622
N-[(5-fluoro-3-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105102315
N-[(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 79721561
N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105145275
N-[(3-fluoro-4-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105181955
N-[(2,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413548
N-[(4-fluoro-3-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105143012
N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105168364
N-[(4-fluoro-3-methylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 62121915
N-[(3,6-dimethylpyridazin-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105143076
N-[(4-fluoro-3-methylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79747223

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine (CID 105142994) is N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine is CCCNC(c1ccnnc1)c1ccc(F)c(C)c1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The InChIKey is KAPQWUWMXUPONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-3-7-17-15(13-6-8-18-19-10-13)12-4-5-14(16)11(2)9-12/h4-6,8-10,15,17H,3,7H2,1-2H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine?
N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine has a molecular weight of 259.33 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)-pyridazin-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 105142994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).