2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine

C14H15ClFN3 — CID 107891668

IUPAC2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Cl)c(F)c2)c(C)nn1
InChIInChI=1S/C14H15ClFN3/c1-8-5-11(9(2)19-18-8)14(17)7-10-3-4-12(15)13(16)6-10/h3-6,14H,7,17H2,1-2H3
InChIKeyYJZZBUMNNPVPDL-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.13
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine

2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine (PubChem CID 107891668) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
PubChem CID107891668
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Cl)c(F)c2)c(C)nn1
InChIInChI=1S/C14H15ClFN3/c1-8-5-11(9(2)19-18-8)14(17)7-10-3-4-12(15)13(16)6-10/h3-6,14H,7,17H2,1-2H3
InChIKeyYJZZBUMNNPVPDL-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 107891606
2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 107891535
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107892584
2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105132737
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 107885313
2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105136216
2-(3-chloro-4-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 103043689
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891666
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine
CID 105137583
2-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 107885041
2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine
CID 114012684
1-(4-bromo-3,5-dimethylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885245

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine (CID 107891668) is 2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine is Cc1cc(C(N)Cc2ccc(Cl)c(F)c2)c(C)nn1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
The InChIKey is YJZZBUMNNPVPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-8-5-11(9(2)19-18-8)14(17)7-10-3-4-12(15)13(16)6-10/h3-6,14H,7,17H2,1-2H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine has a molecular weight of 279.75 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine is sourced from PubChem (CID 107891668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).