1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine

C16H21N3O — CID 105093671

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
SMILESCCc1nnc(C)cc1C(NC)c1ccccc1OC
InChIInChI=1S/C16H21N3O/c1-5-14-13(10-11(2)18-19-14)16(17-3)12-8-6-7-9-15(12)20-4/h6-10,16-17H,5H2,1-4H3
InChIKeyWGCBMKNDEMOCQX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.66
Rot. Bonds5

About 1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine

1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine (PubChem CID 105093671) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
PubChem CID105093671
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
SMILESCCc1nnc(C)cc1C(NC)c1ccccc1OC
InChIInChI=1S/C16H21N3O/c1-5-14-13(10-11(2)18-19-14)16(17-3)12-8-6-7-9-15(12)20-4/h6-10,16-17H,5H2,1-4H3
InChIKeyWGCBMKNDEMOCQX-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-6-methylpyridazin-4-yl)-(2-methoxyphenyl)methanamine
CID 105093493
(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176557
[(3,6-dimethylpyridazin-4-yl)-(2-methoxyphenyl)methyl]hydrazine
CID 105285775
1-(2-ethylfuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 114104162
N-[(3-ethyl-6-methylpyridazin-4-yl)-(4-methoxyphenyl)methyl]ethanamine
CID 105095248
N-[(3-ethyl-6-methylpyridazin-4-yl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105175289
(3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105141233
1-(2,4-dimethylphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43482690
1-(2-fluoro-5-methylphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 62790144
[(3-ethyl-6-methylpyridazin-4-yl)-pyridin-3-ylmethyl]hydrazine
CID 105287134
1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine
CID 106465124
1-(5-bromo-2-ethoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43487355

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine (CID 105093671) is 1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine is CCc1nnc(C)cc1C(NC)c1ccccc1OC.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine?
The InChIKey is WGCBMKNDEMOCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-14-13(10-11(2)18-19-14)16(17-3)12-8-6-7-9-15(12)20-4/h6-10,16-17H,5H2,1-4H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine?
1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105093671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).