N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]propan-2-amine

C14H16FN3 — CID 164739260

IUPACN-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1c(F)cccc1-c1cccnn1
InChIInChI=1S/C14H16FN3/c1-10(2)16-9-12-11(5-3-6-13(12)15)14-7-4-8-17-18-14/h3-8,10,16H,9H2,1-2H3
InChIKeyNCNSPSWAFWDHKQ-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.78
Rot. Bonds4

About N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]propan-2-amine

N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]propan-2-amine (PubChem CID 164739260) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]propan-2-amine
PubChem CID164739260
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1c(F)cccc1-c1cccnn1
InChIInChI=1S/C14H16FN3/c1-10(2)16-9-12-11(5-3-6-13(12)15)14-7-4-8-17-18-14/h3-8,10,16H,9H2,1-2H3
InChIKeyNCNSPSWAFWDHKQ-UHFFFAOYSA-N
XLogP2.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 155512645
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CID 155527636
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CID 56708242
3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 56744637
4-[3-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 177656633
3-(4-Fluorophenyl)pyridazine
CID 68649942
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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]propan-2-amine (CID 164739260) is N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]propan-2-amine is CC(C)NCc1c(F)cccc1-c1cccnn1.
What is the InChIKey of N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]propan-2-amine?
The InChIKey is NCNSPSWAFWDHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10(2)16-9-12-11(5-3-6-13(12)15)14-7-4-8-17-18-14/h3-8,10,16H,9H2,1-2H3.
What are the key properties of N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]propan-2-amine?
N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]propan-2-amine has a molecular weight of 245.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 164739260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).