N-[[6-[4-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine

C14H14F3N3O — CID 62287900

IUPACN-[[6-[4-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C14H14F3N3O/c1-2-18-9-11-5-8-13(20-19-11)21-12-6-3-10(4-7-12)14(15,16)17/h3-8,18H,2,9H2,1H3
InChIKeyMCWQVODLNJHOOV-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.40
Rot. Bonds5

About N-[[6-[4-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine

N-[[6-[4-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine (PubChem CID 62287900) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[[6-[4-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-[4-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine
PubChem CID62287900
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-[[6-[4-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C14H14F3N3O/c1-2-18-9-11-5-8-13(20-19-11)21-12-6-3-10(4-7-12)14(15,16)17/h3-8,18H,2,9H2,1H3
InChIKeyMCWQVODLNJHOOV-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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-[4-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine (CID 62287900) is N-[[6-[4-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-[4-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-[4-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine is CCNCc1ccc(Oc2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of N-[[6-[4-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine?
The InChIKey is MCWQVODLNJHOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-2-18-9-11-5-8-13(20-19-11)21-12-6-3-10(4-7-12)14(15,16)17/h3-8,18H,2,9H2,1H3.
What are the key properties of N-[[6-[4-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine?
N-[[6-[4-(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-[4-(trifluoromethyl)phenoxy]pyridazin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62287900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).