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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Related Compounds

3-[(4-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
CID 155562772
3-Chloro-5-(4-fluorophenyl)pyridazine
CID 58046417
5-(4-chloro-2-fluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66964681
5-(4-chlorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66965150
4-(5-Chloro-4-fluoro-2-propan-2-ylphenyl)pyridazine
CID 118655669
4-(5-Chloro-4-fluoro-2-methylphenyl)pyridazine
CID 123362330
4-(5-Chloro-2-ethyl-4-fluorophenyl)pyridazine
CID 126486743
14-(4-Chloro-3-fluorophenyl)-3,4,12,16-tetrazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10-hexaene
CID 153710987
4-(6-Chloropyridazin-4-yl)-2-fluoroaniline
CID 162439912
N-[(2-fluoro-6-pyridazin-3-ylphenyl)methyl]propan-2-amine
CID 164739260
1-(4-chlorophenyl)-2,2,2-trifluoro-N-methyl-N-pyridazin-3-ylsulfanylethanamine
CID 168899197
3-[(4-Chloro-2-fluorophenyl)methyl]pyridazine
CID 169734961

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).