2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine

C13H15BrN2OS — CID 103527080

IUPAC2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CNCCc2ccc(Br)s2)n1
InChIInChI=1S/C13H15BrN2OS/c1-17-13-4-2-3-10(16-13)9-15-8-7-11-5-6-12(14)18-11/h2-6,15H,7-9H2,1H3
InChIKeySYEHKWUWRXIRGW-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.25
Rot. Bonds6

About 2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine

2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine (PubChem CID 103527080) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
PubChem CID103527080
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CNCCc2ccc(Br)s2)n1
InChIInChI=1S/C13H15BrN2OS/c1-17-13-4-2-3-10(16-13)9-15-8-7-11-5-6-12(14)18-11/h2-6,15H,7-9H2,1H3
InChIKeySYEHKWUWRXIRGW-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypyridin-2-amine
CID 114140674
3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 114293547
2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63991750
6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine
CID 107844830
N-[(6-methoxy-2-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 80688976
2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine
CID 106043701
N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromothiophen-2-yl)ethanamine
CID 115213054
1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine
CID 110916980
[4-[[(6-methoxy-2-pyridinyl)methylamino]methyl]phenyl]methanol
CID 107230279
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 63984106
N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine
CID 63993512
2-(5-bromothiophen-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 106047161

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine (CID 103527080) is 2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine is COc1cccc(CNCCc2ccc(Br)s2)n1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
The InChIKey is SYEHKWUWRXIRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-17-13-4-2-3-10(16-13)9-15-8-7-11-5-6-12(14)18-11/h2-6,15H,7-9H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine?
2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine has a molecular weight of 327.25 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 103527080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).