3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine

C14H14F3N3 — CID 106895245

IUPAC3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine
SMILESFC(F)(F)CC(NCc1cccnn1)c1ccccc1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)9-13(11-5-2-1-3-6-11)18-10-12-7-4-8-19-20-12/h1-8,13,18H,9-10H2
InChIKeyXLTBCICYWHKQCH-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.26
Rot. Bonds5

About 3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine

3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine (PubChem CID 106895245) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine
PubChem CID106895245
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine
SMILESFC(F)(F)CC(NCc1cccnn1)c1ccccc1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)9-13(11-5-2-1-3-6-11)18-10-12-7-4-8-19-20-12/h1-8,13,18H,9-10H2
InChIKeyXLTBCICYWHKQCH-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diphenyl-N-(pyridazin-3-ylmethyl)methanamine
CID 106895014
3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 55150406
3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine
CID 62847357
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
CID 115900299
3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 54897637
3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine
CID 115607292
3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine
CID 43755356
3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine
CID 60961509
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 115767647
2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol
CID 106172903
[1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol
CID 115454270

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine (CID 106895245) is 3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine is FC(F)(F)CC(NCc1cccnn1)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine?
The InChIKey is XLTBCICYWHKQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-14(16,17)9-13(11-5-2-1-3-6-11)18-10-12-7-4-8-19-20-12/h1-8,13,18H,9-10H2.
What are the key properties of 3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine?
3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine has a molecular weight of 281.28 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106895245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).