1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine

C13H13BrFN3 — CID 106895275

IUPAC1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCC(NCc1cccnn1)c1ccc(Br)cc1F
InChIInChI=1S/C13H13BrFN3/c1-9(12-5-4-10(14)7-13(12)15)16-8-11-3-2-6-17-18-11/h2-7,9,16H,8H2,1H3
InChIKeyVOQJZCMGVZFWAQ-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.23
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine

1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine (PubChem CID 106895275) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
PubChem CID106895275
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCC(NCc1cccnn1)c1ccc(Br)cc1F
InChIInChI=1S/C13H13BrFN3/c1-9(12-5-4-10(14)7-13(12)15)16-8-11-3-2-6-17-18-11/h2-7,9,16H,8H2,1H3
InChIKeyVOQJZCMGVZFWAQ-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895273
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 82961496
N'-[1-(4-bromo-2-fluorophenyl)ethyl]propane-1,3-diamine
CID 82963535
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,2-difluoroethanamine
CID 82964200
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 82963086
4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol
CID 82964342
1-(2,3-dichlorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 107094366
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963032
N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine
CID 82963081
1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895281
4-[1-(pyridazin-3-ylmethylamino)ethyl]phenol
CID 106895349
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propane-1,2-diol
CID 82963254

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine (CID 106895275) is 1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine is CC(NCc1cccnn1)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
The InChIKey is VOQJZCMGVZFWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-9(12-5-4-10(14)7-13(12)15)16-8-11-3-2-6-17-18-11/h2-7,9,16H,8H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine has a molecular weight of 310.17 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-(pyridazin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106895275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).