(3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine

C16H21N3O2 — CID 105141233

IUPAC(3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
SMILESCCc1nnc(C)cc1C(N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H21N3O2/c1-5-13-12(8-10(2)18-19-13)16(17)11-6-7-14(20-3)15(9-11)21-4/h6-9,16H,5,17H2,1-4H3
InChIKeyVZRDKTLPZJMRLN-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.41
Rot. Bonds5

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

(3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine (PubChem CID 105141233) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
PubChem CID105141233
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
SMILESCCc1nnc(C)cc1C(N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H21N3O2/c1-5-13-12(8-10(2)18-19-13)16(17)11-6-7-14(20-3)15(9-11)21-4/h6-9,16H,5,17H2,1-4H3
InChIKeyVZRDKTLPZJMRLN-UHFFFAOYSA-N
XLogP2.41
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
(3,4-difluorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105145597
(3-chloro-4-methylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 107561977
(3-ethyl-6-methylpyridazin-4-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105171352
(3-ethyl-6-methylpyridazin-4-yl)-thiophen-3-ylmethanamine
CID 105154023
(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanamine
CID 63553809
(2,4-dimethylphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine
CID 105145281
1-(3-ethyl-6-methylpyridazin-4-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093671
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084519
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine
CID 65307979

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The IUPAC name of (3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine (CID 105141233) is (3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The canonical SMILES for (3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine is CCc1nnc(C)cc1C(N)c1ccc(OC)c(OC)c1.
What is the InChIKey of (3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The InChIKey is VZRDKTLPZJMRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-13-12(8-10(2)18-19-13)16(17)11-6-7-14(20-3)15(9-11)21-4/h6-9,16H,5,17H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
(3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine has a molecular weight of 287.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanamine is sourced from PubChem (CID 105141233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).