N-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine

C16H21N3O — CID 105179018

IUPACN-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccnnc1)c1cc(C)c(OC)cc1C
InChIInChI=1S/C16H21N3O/c1-5-17-16(13-6-7-18-19-10-13)14-8-12(3)15(20-4)9-11(14)2/h6-10,16-17H,5H2,1-4H3
InChIKeyYIEIFOZAIDJDBD-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.80
Rot. Bonds5

About N-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine

N-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine (PubChem CID 105179018) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine
PubChem CID105179018
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccnnc1)c1cc(C)c(OC)cc1C
InChIInChI=1S/C16H21N3O/c1-5-17-16(13-6-7-18-19-10-13)14-8-12(3)15(20-4)9-11(14)2/h6-10,16-17H,5H2,1-4H3
InChIKeyYIEIFOZAIDJDBD-UHFFFAOYSA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]hydrazine
CID 105332991
N-[(2-fluoro-3-methoxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105174724
N-[(2-methoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105093478
N-[(4-methoxy-2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105032743
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-2,5-dimethylphenyl)methyl]ethanamine
CID 105032873
N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105141520
N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105145275
N-[(5-methyl-3-pyridinyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 105155164
N-[(3,5-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105168364
N-[(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 43489971
N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105188741
[(3-ethyl-4-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105262303

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine?
The IUPAC name of N-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine (CID 105179018) is N-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine is CCNC(c1ccnnc1)c1cc(C)c(OC)cc1C.
What is the InChIKey of N-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine?
The InChIKey is YIEIFOZAIDJDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-17-16(13-6-7-18-19-10-13)14-8-12(3)15(20-4)9-11(14)2/h6-10,16-17H,5H2,1-4H3.
What are the key properties of N-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine?
N-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]ethanamine is sourced from PubChem (CID 105179018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).