N-[(4-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine

C14H15ClFN3 — CID 105173670

IUPACN-[(4-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H15ClFN3/c1-2-6-17-14(10-5-7-18-19-9-10)12-4-3-11(15)8-13(12)16/h3-5,7-9,14,17H,2,6H2,1H3
InChIKeyNLDHNIUKDVGMCE-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.36
Rot. Bonds5

About N-[(4-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine

N-[(4-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine (PubChem CID 105173670) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine
PubChem CID105173670
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC NameN-[(4-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccnnc1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H15ClFN3/c1-2-6-17-14(10-5-7-18-19-9-10)12-4-3-11(15)8-13(12)16/h3-5,7-9,14,17H,2,6H2,1H3
InChIKeyNLDHNIUKDVGMCE-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine (CID 105173670) is N-[(4-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine is CCCNC(c1ccnnc1)c1ccc(Cl)cc1F.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine?
The InChIKey is NLDHNIUKDVGMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-2-6-17-14(10-5-7-18-19-9-10)12-4-3-11(15)8-13(12)16/h3-5,7-9,14,17H,2,6H2,1H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine?
N-[(4-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine has a molecular weight of 279.75 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)-pyridazin-4-ylmethyl]propan-1-amine is sourced from PubChem (CID 105173670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).