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

C14H15ClFN3 — CID 105190371

IUPAC2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccnnc1
InChIInChI=1S/C14H15ClFN3/c1-2-17-14(11-5-6-18-19-9-11)7-10-3-4-12(15)8-13(10)16/h3-6,8-9,14,17H,2,7H2,1H3
InChIKeyCPJQNDSNBRUHHW-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.16
Rot. Bonds5

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

2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine (PubChem CID 105190371) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
PubChem CID105190371
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccnnc1
InChIInChI=1S/C14H15ClFN3/c1-2-17-14(11-5-6-18-19-9-11)7-10-3-4-12(15)8-13(10)16/h3-6,8-9,14,17H,2,7H2,1H3
InChIKeyCPJQNDSNBRUHHW-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine (CID 105190371) is 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine is CCNC(Cc1ccc(Cl)cc1F)c1ccnnc1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine?
The InChIKey is CPJQNDSNBRUHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-2-17-14(11-5-6-18-19-9-11)7-10-3-4-12(15)8-13(10)16/h3-6,8-9,14,17H,2,7H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine?
2-(4-chloro-2-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-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridazin-4-ylethanamine is sourced from PubChem (CID 105190371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).