N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine

C15H17Cl2N3 — CID 105136520

IUPACN-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)c1ccnnc1
InChIInChI=1S/C15H17Cl2N3/c1-2-6-18-15(12-5-7-19-20-10-12)9-11-3-4-13(16)14(17)8-11/h3-5,7-8,10,15,18H,2,6,9H2,1H3
InChIKeyBSJGWTOLTVUJQM-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.07
Rot. Bonds6

About N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine

N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine (PubChem CID 105136520) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine
PubChem CID105136520
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC NameN-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)c(Cl)c1)c1ccnnc1
InChIInChI=1S/C15H17Cl2N3/c1-2-6-18-15(12-5-7-19-20-10-12)9-11-3-4-13(16)14(17)8-11/h3-5,7-8,10,15,18H,2,6,9H2,1H3
InChIKeyBSJGWTOLTVUJQM-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine
CID 63413061
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105122244
N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821315
N-[2-(3,4-dichlorophenyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 63528164
N-[2-(1-ethylpyrazol-4-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105114689
N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105136518
N-[1-(cyclohexen-1-yl)-2-(3,4-dichlorophenyl)ethyl]propan-1-amine
CID 63506622
N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63414967
N-[2-(2,5-dimethylpyrazol-3-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105158604
N-[2-(3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105160172
N-[2-(3,4-dichlorophenyl)-1-(4-methylthiophen-3-yl)ethyl]propan-1-amine
CID 79808186
2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755126

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine (CID 105136520) is N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)c(Cl)c1)c1ccnnc1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine?
The InChIKey is BSJGWTOLTVUJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-2-6-18-15(12-5-7-19-20-10-12)9-11-3-4-13(16)14(17)8-11/h3-5,7-8,10,15,18H,2,6,9H2,1H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine?
N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine has a molecular weight of 310.23 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-1-pyridazin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 105136520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).