N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine

C15H17Cl2N3 — CID 105142190

IUPACN-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)c1cc(C)nnc1C
InChIInChI=1S/C15H17Cl2N3/c1-4-18-15(12-7-9(2)19-20-10(12)3)13-8-11(16)5-6-14(13)17/h5-8,15,18H,4H2,1-3H3
InChIKeyPYSBXIMZABTZIY-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.10
Rot. Bonds4

About N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine

N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine (PubChem CID 105142190) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
PubChem CID105142190
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC NameN-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)c1cc(C)nnc1C
InChIInChI=1S/C15H17Cl2N3/c1-4-18-15(12-7-9(2)19-20-10(12)3)13-8-11(16)5-6-14(13)17/h5-8,15,18H,4H2,1-3H3
InChIKeyPYSBXIMZABTZIY-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
N-[(3,6-dimethylpyridazin-4-yl)-phenylmethyl]ethanamine
CID 105083698
N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925
N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105142310
N-[(2,5-dichlorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 43491967
N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105142188
N-[(2,5-dichlorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491174
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
N-[(3,6-dimethylpyridazin-4-yl)-(furan-2-yl)methyl]ethanamine
CID 105146876
N-[(2,5-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 115530861
N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43626308
N-[(3,5-dibromophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 107974842

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine (CID 105142190) is N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1Cl)c1cc(C)nnc1C.
What is the InChIKey of N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine?
The InChIKey is PYSBXIMZABTZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-4-18-15(12-7-9(2)19-20-10(12)3)13-8-11(16)5-6-14(13)17/h5-8,15,18H,4H2,1-3H3.
What are the key properties of N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine?
N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine has a molecular weight of 310.23 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine is sourced from PubChem (CID 105142190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).