1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine

C13H15BrN2S — CID 43480738

IUPAC1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2cncc(Br)c2)s1
InChIInChI=1S/C13H15BrN2S/c1-3-11-4-5-12(17-11)13(15-2)9-6-10(14)8-16-7-9/h4-8,13,15H,3H2,1-2H3
InChIKeyCBEAHTCIQZJYNW-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.78
Rot. Bonds4

About 1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine

1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 43480738) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
PubChem CID43480738
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2cncc(Br)c2)s1
InChIInChI=1S/C13H15BrN2S/c1-3-11-4-5-12(17-11)13(15-2)9-6-10(14)8-16-7-9/h4-8,13,15H,3H2,1-2H3
InChIKeyCBEAHTCIQZJYNW-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 43125136
N-[(5-ethylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 105027467
1-(4-bromo-2-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480749
N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 115804512
1-(5-ethylthiophen-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43480803
1-(5-ethylthiophen-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 43480785
1-(2-bromo-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 43480821
N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488443
1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 105041323
1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43480838
N-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 43494301
1-(5-bromo-3-pyridinyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43486642

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine (CID 43480738) is 1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine is CCc1ccc(C(NC)c2cncc(Br)c2)s1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is CBEAHTCIQZJYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-3-11-4-5-12(17-11)13(15-2)9-6-10(14)8-16-7-9/h4-8,13,15H,3H2,1-2H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine?
1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 311.25 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 43480738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).