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

C15H17ClFN3 — CID 105190444

IUPACN-[2-(4-chloro-2-fluorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1F)c1ccnnc1
InChIInChI=1S/C15H17ClFN3/c1-2-6-18-15(12-5-7-19-20-10-12)8-11-3-4-13(16)9-14(11)17/h3-5,7,9-10,15,18H,2,6,8H2,1H3
InChIKeyLWLOOTRRVZXZPO-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.55
Rot. Bonds6

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

N-[2-(4-chloro-2-fluorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine (PubChem CID 105190444) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[2-(4-chloro-2-fluorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-2-fluorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine
PubChem CID105190444
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC NameN-[2-(4-chloro-2-fluorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1F)c1ccnnc1
InChIInChI=1S/C15H17ClFN3/c1-2-6-18-15(12-5-7-19-20-10-12)8-11-3-4-13(16)9-14(11)17/h3-5,7,9-10,15,18H,2,6,8H2,1H3
InChIKeyLWLOOTRRVZXZPO-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-fluorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chloro-2-fluorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine (CID 105190444) is N-[2-(4-chloro-2-fluorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chloro-2-fluorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chloro-2-fluorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)cc1F)c1ccnnc1.
What is the InChIKey of N-[2-(4-chloro-2-fluorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine?
The InChIKey is LWLOOTRRVZXZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-2-6-18-15(12-5-7-19-20-10-12)8-11-3-4-13(16)9-14(11)17/h3-5,7,9-10,15,18H,2,6,8H2,1H3.
What are the key properties of N-[2-(4-chloro-2-fluorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine?
N-[2-(4-chloro-2-fluorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine has a molecular weight of 293.77 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-fluorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 105190444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).