5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine

C13H15BrN2S — CID 115146924

IUPAC5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine
SMILESCc1ccsc1CCN(C)c1ccc(Br)cn1
InChIInChI=1S/C13H15BrN2S/c1-10-6-8-17-12(10)5-7-16(2)13-4-3-11(14)9-15-13/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyAWQBDRQXPVKRPY-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.89
Rot. Bonds4

About 5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine

5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine (PubChem CID 115146924) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine
PubChem CID115146924
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine
SMILESCc1ccsc1CCN(C)c1ccc(Br)cn1
InChIInChI=1S/C13H15BrN2S/c1-10-6-8-17-12(10)5-7-16(2)13-4-3-11(14)9-15-13/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyAWQBDRQXPVKRPY-UHFFFAOYSA-N
XLogP3.89
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 115146882
5-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55137560
5-bromo-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 115146878
methyl-[2-(3-methylthiophen-2-yl)ethyl]cyanamide
CID 117043598
5-bromo-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 61373959
5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine
CID 115146736
1-[(5-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333552
2-(3-bromopropyl)-3-methylthiophene
CID 19688419
2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 79475919
3-methyl-2-[[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]methyl]butanenitrile
CID 115254717
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470640
5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 61373581

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine (CID 115146924) is 5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine is Cc1ccsc1CCN(C)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine?
The InChIKey is AWQBDRQXPVKRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-10-6-8-17-12(10)5-7-16(2)13-4-3-11(14)9-15-13/h3-4,6,8-9H,5,7H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine?
5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine has a molecular weight of 311.25 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 115146924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).