1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine

C15H18Br2N2OS — CID 115844021

IUPAC1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ncc(C)c(OC)c1C)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H18Br2N2OS/c1-8-7-19-11(9(2)14(8)20-4)6-12(18-3)13-5-10(16)15(17)21-13/h5,7,12,18H,6H2,1-4H3
InChIKeySXRZTFHGKGHMPK-UHFFFAOYSA-N
MW434.20 g/mol
LogP4.80
Rot. Bonds5

About 1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine

1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine (PubChem CID 115844021) has the molecular formula C15H18Br2N2OS and a molecular weight of 434.20 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
PubChem CID115844021
Molecular FormulaC15H18Br2N2OS
Molecular Weight434.20 g/mol
Exact Mass431.95
IUPAC Name1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ncc(C)c(OC)c1C)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H18Br2N2OS/c1-8-7-19-11(9(2)14(8)20-4)6-12(18-3)13-5-10(16)15(17)21-13/h5,7,12,18H,6H2,1-4H3
InChIKeySXRZTFHGKGHMPK-UHFFFAOYSA-N
XLogP4.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.20
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine with MolForge

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Related Compounds

2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115843909
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-pyridin-4-ylethanamine
CID 62601677
1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 115843919
1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 115844039
[1-(5-bromo-3-pyridinyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine
CID 105251270
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,3,3-trimethylpentan-2-amine
CID 115843940
1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 62600019
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131604
1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 65150589
1-(4,5-dibromothiophen-2-yl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83057656
1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 80536178
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 104996756

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine (CID 115844021) is 1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine is CNC(Cc1ncc(C)c(OC)c1C)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine?
The InChIKey is SXRZTFHGKGHMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2N2OS/c1-8-7-19-11(9(2)14(8)20-4)6-12(18-3)13-5-10(16)15(17)21-13/h5,7,12,18H,6H2,1-4H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine?
1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine has a molecular weight of 434.20 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 115844021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).