2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine

C14H15ClFN3 — CID 105105535

IUPAC2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)c1ccnnc1
InChIInChI=1S/C14H15ClFN3/c1-2-17-14(10-6-7-18-19-9-10)8-11-12(15)4-3-5-13(11)16/h3-7,9,14,17H,2,8H2,1H3
InChIKeyYZCHQKZIUYGWMS-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.16
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine

2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine (PubChem CID 105105535) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
PubChem CID105105535
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
SMILESCCNC(Cc1c(F)cccc1Cl)c1ccnnc1
InChIInChI=1S/C14H15ClFN3/c1-2-17-14(10-6-7-18-19-9-10)8-11-12(15)4-3-5-13(11)16/h3-7,9,14,17H,2,8H2,1H3
InChIKeyYZCHQKZIUYGWMS-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2-(2-chloro-6-fluorophenyl)-N-ethylethanamine
CID 81293136
[2-(2,6-dichlorophenyl)-1-pyridazin-4-ylethyl]hydrazine
CID 105293146
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63962445
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687612
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63413996
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515541
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 43494761
2-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857068
1-(3-chloro-4-iodophenyl)-2-(2,6-difluorophenyl)-N-ethylethanamine
CID 103216510
2-(3-bromophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
CID 105089518
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 102763897
3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400371

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine (CID 105105535) is 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine is CCNC(Cc1c(F)cccc1Cl)c1ccnnc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine?
The InChIKey is YZCHQKZIUYGWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-2-17-14(10-6-7-18-19-9-10)8-11-12(15)4-3-5-13(11)16/h3-7,9,14,17H,2,8H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine?
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine has a molecular weight of 279.75 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine is sourced from PubChem (CID 105105535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).