(2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine

C16H21N3 — CID 105145281

IUPAC(2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
SMILESCCc1nnc(C)cc1C(N)c1ccc(C)cc1C
InChIInChI=1S/C16H21N3/c1-5-15-14(9-12(4)18-19-15)16(17)13-7-6-10(2)8-11(13)3/h6-9,16H,5,17H2,1-4H3
InChIKeyJJIXENOKWDCLBQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.01
Rot. Bonds3

About (2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine

(2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine (PubChem CID 105145281) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
PubChem CID105145281
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name(2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
SMILESCCc1nnc(C)cc1C(N)c1ccc(C)cc1C
InChIInChI=1S/C16H21N3/c1-5-15-14(9-12(4)18-19-15)16(17)13-7-6-10(2)8-11(13)3/h6-9,16H,5,17H2,1-4H3
InChIKeyJJIXENOKWDCLBQ-UHFFFAOYSA-N
XLogP3.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-6-methylpyridazin-4-yl)-(2-methoxyphenyl)methanamine
CID 105093493
(3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 107561977
[(2,5-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]hydrazine
CID 105292629
(3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105145597
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine
CID 105154023
(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176557
(5-chlorothiophen-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105173448
(3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105141233
(2,4-dimethylphenyl)-(2-methylphenyl)methanamine
CID 43198494
(3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105171352
1-(3-ethyl-6-methylpyridazin-4-yl)-2-methylpentan-1-amine
CID 107894057
4-[amino-(2,4-dimethylphenyl)methyl]-2,6-dimethylpyridazin-3-one
CID 82442644

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The IUPAC name of (2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine (CID 105145281) is (2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine.
What is the SMILES notation for (2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The canonical SMILES for (2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine is CCc1nnc(C)cc1C(N)c1ccc(C)cc1C.
What is the InChIKey of (2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The InChIKey is JJIXENOKWDCLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-5-15-14(9-12(4)18-19-15)16(17)13-7-6-10(2)8-11(13)3/h6-9,16H,5,17H2,1-4H3.
What are the key properties of (2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
(2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine is sourced from PubChem (CID 105145281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).