N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine

C14H14F3N3O — CID 105141520

IUPACN-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1ccnnc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H14F3N3O/c1-2-18-13(10-7-8-19-20-9-10)11-5-3-4-6-12(11)21-14(15,16)17/h3-9,13,18H,2H2,1H3
InChIKeyCLFXRYYXAJBUIL-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.07
Rot. Bonds5

About N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine

N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 105141520) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID105141520
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1ccnnc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H14F3N3O/c1-2-18-13(10-7-8-19-20-9-10)11-5-3-4-6-12(11)21-14(15,16)17/h3-9,13,18H,2H2,1H3
InChIKeyCLFXRYYXAJBUIL-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluoro-3-methoxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105174724
N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105093478
N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine
CID 105143467
N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine
CID 106647759
N-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105179018
N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62802970
N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine
CID 105172732
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
N-ethyl-2-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115850903
N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116720263
2,2-dimethyl-N-propyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 63413587

Frequently Asked Questions

What is the IUPAC name of N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 105141520) is N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine is CCNC(c1ccnnc1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is CLFXRYYXAJBUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-2-18-13(10-7-8-19-20-9-10)11-5-3-4-6-12(11)21-14(15,16)17/h3-9,13,18H,2H2,1H3.
What are the key properties of N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine?
N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 297.28 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 105141520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).