1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine

C12H13BrN2OS — CID 107558966

IUPAC1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cncc(Br)c2)s1
InChIInChI=1S/C12H13BrN2OS/c1-14-7-11-2-3-12(17-11)8-16-10-4-9(13)5-15-6-10/h2-6,14H,7-8H2,1H3
InChIKeyVAHGQFDKXGGSPS-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.20
Rot. Bonds5

About 1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine

1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine (PubChem CID 107558966) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is 1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine
PubChem CID107558966
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cncc(Br)c2)s1
InChIInChI=1S/C12H13BrN2OS/c1-14-7-11-2-3-12(17-11)8-16-10-4-9(13)5-15-6-10/h2-6,14H,7-8H2,1H3
InChIKeyVAHGQFDKXGGSPS-UHFFFAOYSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 107558967
[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine
CID 107558968
1-[5-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107726394
1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107558294
1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107558758
N-[[4-[(5-bromo-3-pyridinyl)oxymethyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80722903
1-[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107559151
1-[5-[(4-chloro-3-fluorophenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107559178
3-bromo-5-phenylmethoxypyridine
CID 15389198
1-[3-[(5-bromo-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 113454072
N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558607
6-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine
CID 79239382

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine (CID 107558966) is 1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine is CNCc1ccc(COc2cncc(Br)c2)s1.
What is the InChIKey of 1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine?
The InChIKey is VAHGQFDKXGGSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-14-7-11-2-3-12(17-11)8-16-10-4-9(13)5-15-6-10/h2-6,14H,7-8H2,1H3.
What are the key properties of 1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine?
1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine has a molecular weight of 313.22 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107558966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).