1-(5-bromothiophen-2-yl)-N-methyl-2-pyridin-4-ylpropan-1-amine

C13H15BrN2S — CID 66448712

IUPAC1-(5-bromothiophen-2-yl)-N-methyl-2-pyridin-4-ylpropan-1-amine
SMILESCNC(c1ccc(Br)s1)C(C)c1ccncc1
InChIInChI=1S/C13H15BrN2S/c1-9(10-5-7-16-8-6-10)13(15-2)11-3-4-12(14)17-11/h3-9,13,15H,1-2H3
InChIKeyJTZPCAFEOSYYII-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.97
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-N-methyl-2-pyridin-4-ylpropan-1-amine

1-(5-bromothiophen-2-yl)-N-methyl-2-pyridin-4-ylpropan-1-amine (PubChem CID 66448712) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-methyl-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-methyl-2-pyridin-4-ylpropan-1-amine
PubChem CID66448712
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name1-(5-bromothiophen-2-yl)-N-methyl-2-pyridin-4-ylpropan-1-amine
SMILESCNC(c1ccc(Br)s1)C(C)c1ccncc1
InChIInChI=1S/C13H15BrN2S/c1-9(10-5-7-16-8-6-10)13(15-2)11-3-4-12(14)17-11/h3-9,13,15H,1-2H3
InChIKeyJTZPCAFEOSYYII-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Pyrid-3-ylthien-2-YL)methylamine
CID 11206290
N-Methyl-(5-pyrid-3-ylthien-2-yl)methylamine
CID 11321674
3-(3-Methylthiophen-2-yl)pyridine
CID 23646069
5-bromo-N-(pyridin-4-ylmethyl)-2-thiophenesulfonamide
CID 936105
N-(2-Thienylmethyl)-4-pyridinemethanamine
CID 964916
Methyl-(5-pyridin-3-yl-thiophen-2-yl)-amine
CID 44388719
Dimethyl({[5-(pyridin-3-yl)thiophen-2-yl]methyl})amine
CID 11310529
(5-Methyl-thiophen-2-ylmethyl)-pyridin-3-ylmethyl-amine hydrochloride
CID 2975334
[5-(4-Pyridin-4-yl-3-pyridinyl)thiophen-2-yl]methanamine;trihydrochloride
CID 145952024
(5-(4-Ethylpyridin-3-yl)thiophen-2-yl)methanamine dihydrochloride
CID 145957229
[5-(4-Propyl-3-pyridinyl)thiophen-2-yl]methanamine;dihydrochloride
CID 145962920
3-(2-Bromothiophen-3-yl)pyridine
CID 9991855

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-2-pyridin-4-ylpropan-1-amine (CID 66448712) is 1-(5-bromothiophen-2-yl)-N-methyl-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-methyl-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-methyl-2-pyridin-4-ylpropan-1-amine is CNC(c1ccc(Br)s1)C(C)c1ccncc1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-methyl-2-pyridin-4-ylpropan-1-amine?
The InChIKey is JTZPCAFEOSYYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9(10-5-7-16-8-6-10)13(15-2)11-3-4-12(14)17-11/h3-9,13,15H,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-methyl-2-pyridin-4-ylpropan-1-amine?
1-(5-bromothiophen-2-yl)-N-methyl-2-pyridin-4-ylpropan-1-amine has a molecular weight of 311.25 g/mol, XLogP of 3.97, 4 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-methyl-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66448712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).