2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine

C18H25N3 — CID 105136216

IUPAC2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(C(C)(C)C)cc2)c(C)nn1
InChIInChI=1S/C18H25N3/c1-12-10-16(13(2)21-20-12)17(19)11-14-6-8-15(9-7-14)18(3,4)5/h6-10,17H,11,19H2,1-5H3
InChIKeyRJPSLDRMCWDOQZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.63
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine

2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine (PubChem CID 105136216) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
PubChem CID105136216
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(C(C)(C)C)cc2)c(C)nn1
InChIInChI=1S/C18H25N3/c1-12-10-16(13(2)21-20-12)17(19)11-14-6-8-15(9-7-14)18(3,4)5/h6-10,17H,11,19H2,1-5H3
InChIKeyRJPSLDRMCWDOQZ-UHFFFAOYSA-N
XLogP3.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanamine
CID 105137583
2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 107891668
1-(3,6-dimethylpyridazin-4-yl)-5,5-dimethylhexan-1-amine
CID 114210905
2-(4-tert-butylphenyl)-1-(2,5-dibromophenyl)ethanamine
CID 115842956
2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 115842871
2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106691777
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(4-iodophenyl)ethanamine
CID 105151946
2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105132737
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105139558
1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol
CID 105080205
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine
CID 105107599
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118214

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine (CID 105136216) is 2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine is Cc1cc(C(N)Cc2ccc(C(C)(C)C)cc2)c(C)nn1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
The InChIKey is RJPSLDRMCWDOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-12-10-16(13(2)21-20-12)17(19)11-14-6-8-15(9-7-14)18(3,4)5/h6-10,17H,11,19H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine?
2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine is sourced from PubChem (CID 105136216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).