2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine

C16H19Cl2N3 — CID 105136569

IUPAC2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine
SMILESCCc1nnc(C)cc1C(Cc1ccc(Cl)c(Cl)c1)NC
InChIInChI=1S/C16H19Cl2N3/c1-4-15-12(7-10(2)20-21-15)16(19-3)9-11-5-6-13(17)14(18)8-11/h5-8,16,19H,4,9H2,1-3H3
InChIKeyVFHBSHWPANRXRU-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.16
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine

2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine (PubChem CID 105136569) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine
PubChem CID105136569
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine
SMILESCCc1nnc(C)cc1C(Cc1ccc(Cl)c(Cl)c1)NC
InChIInChI=1S/C16H19Cl2N3/c1-4-15-12(7-10(2)20-21-15)16(19-3)9-11-5-6-13(17)14(18)8-11/h5-8,16,19H,4,9H2,1-3H3
InChIKeyVFHBSHWPANRXRU-UHFFFAOYSA-N
XLogP4.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 105091390
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 105091949
1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 63415410
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(furan-2-yl)-N-methylethanamine
CID 105177474
(3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105133302
2-(3,4-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 105136491
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159579
1-(3-ethyl-6-methylpyridazin-4-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 105147937
[2-(2,3-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethyl]hydrazine
CID 107312972
1-(4-bromo-2-fluorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 63527821
N-[(3-ethyl-6-methylpyridazin-4-yl)-(4-ethylphenyl)methyl]ethanamine
CID 105121574
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-2-pyridin-3-ylethanamine
CID 105179958

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine (CID 105136569) is 2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine is CCc1nnc(C)cc1C(Cc1ccc(Cl)c(Cl)c1)NC.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine?
The InChIKey is VFHBSHWPANRXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-4-15-12(7-10(2)20-21-15)16(19-3)9-11-5-6-13(17)14(18)8-11/h5-8,16,19H,4,9H2,1-3H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine?
2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine has a molecular weight of 324.26 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylethanamine is sourced from PubChem (CID 105136569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).