1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine

C13H15BrN2S — CID 82731897

IUPAC1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
SMILESCCc1cccnc1CNCc1ccc(Br)s1
InChIInChI=1S/C13H15BrN2S/c1-2-10-4-3-7-16-12(10)9-15-8-11-5-6-13(14)17-11/h3-7,15H,2,8-9H2,1H3
InChIKeyOJMVQHRPPAAOGT-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.76
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine

1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine (PubChem CID 82731897) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
PubChem CID82731897
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
SMILESCCc1cccnc1CNCc1ccc(Br)s1
InChIInChI=1S/C13H15BrN2S/c1-2-10-4-3-7-16-12(10)9-15-8-11-5-6-13(14)17-11/h3-7,15H,2,8-9H2,1H3
InChIKeyOJMVQHRPPAAOGT-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82732596
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 82732413
5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 82748895
1-(5-bromothiophen-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)methanamine
CID 66416040
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731760
1-(5-bromothiophen-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]methanamine
CID 62350136
1-(2-ethoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733206
N-[(3-ethyl-2-pyridinyl)methyl]-1-pyrazin-2-ylmethanamine
CID 82733194
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733516
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 82733879

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine (CID 82731897) is 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine is CCc1cccnc1CNCc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The InChIKey is OJMVQHRPPAAOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-2-10-4-3-7-16-12(10)9-15-8-11-5-6-13(14)17-11/h3-7,15H,2,8-9H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine has a molecular weight of 311.25 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 82731897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).