2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine

C15H17ClFN3O — CID 103374657

IUPAC2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccc(OC)nn1
InChIInChI=1S/C15H17ClFN3O/c1-3-18-14(13-6-7-15(21-2)20-19-13)8-10-4-5-11(16)9-12(10)17/h4-7,9,14,18H,3,8H2,1-2H3
InChIKeyLVFSFNHNVKMZKK-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.17
Rot. Bonds6

About 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine

2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine (PubChem CID 103374657) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
PubChem CID103374657
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccc(OC)nn1
InChIInChI=1S/C15H17ClFN3O/c1-3-18-14(13-6-7-15(21-2)20-19-13)8-10-4-5-11(16)9-12(10)17/h4-7,9,14,18H,3,8H2,1-2H3
InChIKeyLVFSFNHNVKMZKK-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374612
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 114855165
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 114856477
[2-(5-chloro-2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]hydrazine
CID 103375753
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine
CID 114855242
2-(2,5-dimethylphenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374401
1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
CID 114855618
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 114855706
N-[2-(2-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethyl]propan-1-amine
CID 103374768
2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-ethylethanamine
CID 105055557
2-(4-chloro-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105055242

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine (CID 103374657) is 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine is CCNC(Cc1ccc(Cl)cc1F)c1ccc(OC)nn1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine?
The InChIKey is LVFSFNHNVKMZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-3-18-14(13-6-7-15(21-2)20-19-13)8-10-4-5-11(16)9-12(10)17/h4-7,9,14,18H,3,8H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine?
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine has a molecular weight of 309.77 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine is sourced from PubChem (CID 103374657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).