(1R)-N-methyl-1-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]ethanamine

C14H14F3N3 — CID 163383259

IUPAC(1R)-N-methyl-1-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]ethanamine
SMILESCN[C@H](C)c1ccc(-c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C14H14F3N3/c1-9(18-2)12-7-8-13(20-19-12)10-3-5-11(6-4-10)14(15,16)17/h3-9,18H,1-2H3/t9-/m1/s1
InChIKeyUFMCFDXLGOCMSO-SECBINFHSA-N
MW281.28 g/mol
LogP3.44
Rot. Bonds3

About (1R)-N-methyl-1-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]ethanamine

(1R)-N-methyl-1-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]ethanamine (PubChem CID 163383259) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is (1R)-N-methyl-1-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]ethanamine.

Molecular Properties

Compound Name(1R)-N-methyl-1-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]ethanamine
PubChem CID163383259
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name(1R)-N-methyl-1-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]ethanamine
SMILESCN[C@H](C)c1ccc(-c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C14H14F3N3/c1-9(18-2)12-7-8-13(20-19-12)10-3-5-11(6-4-10)14(15,16)17/h3-9,18H,1-2H3/t9-/m1/s1
InChIKeyUFMCFDXLGOCMSO-SECBINFHSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-phenylethyl)-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
CID 155512645
3-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
CID 155513179
3-benzyl-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
CID 155527636
3-[[3-(trifluoromethyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
CID 155549312
4-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 176376044
3-Methyl-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 10537871
2-[3,6-bis(trifluoromethyl)pyridazin-4-yl]-N-methylaniline
CID 13724947
3-[4-(Trifluoromethyl)phenyl]-6-methylpyridazine
CID 16743676
3-(1,1-Difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine
CID 18187498
3-[4-(3-Fluoropropyl)phenyl]-6-pentylpyridazine
CID 19789056
3-[2-[4-(Fluoromethyl)phenyl]ethyl]-6-pentylpyridazine
CID 19789071
3-(2,3-Difluoro-4-methylphenyl)-6-methylpyridazine
CID 20663232

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]ethanamine?
The IUPAC name of (1R)-N-methyl-1-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]ethanamine (CID 163383259) is (1R)-N-methyl-1-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]ethanamine.
What is the SMILES notation for (1R)-N-methyl-1-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]ethanamine?
The canonical SMILES for (1R)-N-methyl-1-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]ethanamine is CN[C@H](C)c1ccc(-c2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of (1R)-N-methyl-1-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]ethanamine?
The InChIKey is UFMCFDXLGOCMSO-SECBINFHSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-9(18-2)12-7-8-13(20-19-12)10-3-5-11(6-4-10)14(15,16)17/h3-9,18H,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-N-methyl-1-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]ethanamine?
(1R)-N-methyl-1-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]ethanamine has a molecular weight of 281.28 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-[6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]ethanamine is sourced from PubChem (CID 163383259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).