N-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine

C14H14F3N3O — CID 62296891

IUPACN-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C14H14F3N3O/c1-2-18-9-10-7-8-13(20-19-10)21-12-6-4-3-5-11(12)14(15,16)17/h3-8,18H,2,9H2,1H3
InChIKeyULWVEEKZSNTJFR-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.40
Rot. Bonds5

About N-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine

N-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine (PubChem CID 62296891) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine
PubChem CID62296891
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C14H14F3N3O/c1-2-18-9-10-7-8-13(20-19-10)21-12-6-4-3-5-11(12)14(15,16)17/h3-8,18H,2,9H2,1H3
InChIKeyULWVEEKZSNTJFR-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine with MolForge

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Related Compounds

3-[(2-methoxyphenyl)methyl]-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
CID 155521278
2,2,2-trifluoro-N-(2-((6-(4-methoxyphenyl)pyridazin-3-yl)oxy)ethyl)acetamide
CID 41782160
N,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)oxyphenyl]methanamine
CID 56709928
3-Propan-2-yl-6-[2-(2,2,2-trifluoroethyl)phenoxy]pyridazine
CID 57821784
3-Propan-2-yl-6-[2-(trifluoromethyl)phenoxy]pyridazine
CID 57821795
6-[4-(Trifluoromethyl)phenoxy]-3-pyridazinemethanamine
CID 62287887
3-Butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoropiperidin-3-yl)methoxy]pyridazine
CID 67372157
3-Butyl-4-(4-cyclohexyloxyphenyl)-6-[1-(4,4-difluoropiperidin-3-yl)ethoxy]pyridazine
CID 67372258
3-[6-[(4-Fluorophenyl)methoxy]pyridazin-3-yl]propan-1-amine
CID 69106556
3-Methyl-6-[2-(trifluoromethyl)phenoxy]pyridazine
CID 70985599
3-Methyl-6-[2-(2,2,2-trifluoroethyl)phenoxy]pyridazine
CID 70987253
2,2,2-trifluoro-N-[3-(6-phenylmethoxypyridazin-3-yl)propyl]acetamide
CID 87696312

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine (CID 62296891) is N-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine is CCNCc1ccc(Oc2ccccc2C(F)(F)F)nn1.
What is the InChIKey of N-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine?
The InChIKey is ULWVEEKZSNTJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-2-18-9-10-7-8-13(20-19-10)21-12-6-4-3-5-11(12)14(15,16)17/h3-8,18H,2,9H2,1H3.
What are the key properties of N-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine?
N-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine has a molecular weight of 297.28 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62296891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).