N-[(6-chloropyridazin-3-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine

C12H14ClN3S — CID 104513788

IUPACN-[(6-chloropyridazin-3-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
SMILESCN(CCc1cccs1)Cc1ccc(Cl)nn1
InChIInChI=1S/C12H14ClN3S/c1-16(7-6-11-3-2-8-17-11)9-10-4-5-12(13)15-14-10/h2-5,8H,6-7,9H2,1H3
InChIKeyFIFGMEJPBAQXJR-UHFFFAOYSA-N
MW267.79 g/mol
LogP2.87
Rot. Bonds5

About N-[(6-chloropyridazin-3-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine

N-[(6-chloropyridazin-3-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine (PubChem CID 104513788) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
PubChem CID104513788
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
SMILESCN(CCc1cccs1)Cc1ccc(Cl)nn1
InChIInChI=1S/C12H14ClN3S/c1-16(7-6-11-3-2-8-17-11)9-10-4-5-12(13)15-14-10/h2-5,8H,6-7,9H2,1H3
InChIKeyFIFGMEJPBAQXJR-UHFFFAOYSA-N
XLogP2.87
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride
CID 71750260
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79494155
3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 114038532
2-methyl-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 78964655
2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 79476185
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 78989434
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile
CID 63774352

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine (CID 104513788) is N-[(6-chloropyridazin-3-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine is CN(CCc1cccs1)Cc1ccc(Cl)nn1.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
The InChIKey is FIFGMEJPBAQXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-16(7-6-11-3-2-8-17-11)9-10-4-5-12(13)15-14-10/h2-5,8H,6-7,9H2,1H3.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine?
N-[(6-chloropyridazin-3-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine has a molecular weight of 267.79 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyridazin-3-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 104513788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).