1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine

C14H17BrN2OS — CID 79169585

IUPAC1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
SMILESCc1ccc(OCc2cc(Br)cs2)c(CC(C)N)n1
InChIInChI=1S/C14H17BrN2OS/c1-9(16)5-13-14(4-3-10(2)17-13)18-7-12-6-11(15)8-19-12/h3-4,6,8-9H,5,7,16H2,1-2H3
InChIKeyFCRNLIVSRFARNM-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.68
Rot. Bonds5

About 1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine

1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine (PubChem CID 79169585) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
PubChem CID79169585
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
SMILESCc1ccc(OCc2cc(Br)cs2)c(CC(C)N)n1
InChIInChI=1S/C14H17BrN2OS/c1-9(16)5-13-14(4-3-10(2)17-13)18-7-12-6-11(15)8-19-12/h3-4,6,8-9H,5,7,16H2,1-2H3
InChIKeyFCRNLIVSRFARNM-UHFFFAOYSA-N
XLogP3.68
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine with MolForge

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Related Compounds

1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine
CID 79169247
1-[6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79169332
1-[3-[(2-bromo-4-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79164686
1-(6-methyl-3-propoxy-2-pyridinyl)propan-2-amine
CID 79168995
1-[3-[(2,4-difluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79164687
1-[3-[(3-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79169165
1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 112615348
1-[6-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79164689
(1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 78936454
1-[4-[(4-bromothiophen-2-yl)methoxy]-3-chlorophenyl]ethanamine
CID 113389706
1-[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]propan-2-amine
CID 79168592
1-[6-methyl-3-(phenylmethoxymethoxy)-2-pyridinyl]propan-2-amine
CID 102940231

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine?
The IUPAC name of 1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine (CID 79169585) is 1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine is Cc1ccc(OCc2cc(Br)cs2)c(CC(C)N)n1.
What is the InChIKey of 1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine?
The InChIKey is FCRNLIVSRFARNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-9(16)5-13-14(4-3-10(2)17-13)18-7-12-6-11(15)8-19-12/h3-4,6,8-9H,5,7,16H2,1-2H3.
What are the key properties of 1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine?
1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine has a molecular weight of 341.27 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 79169585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).