2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol

C13H14BrNO2S — CID 55162656

IUPAC2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol
SMILESCOc1cc(CNCc2ccsc2)cc(Br)c1O
InChIInChI=1S/C13H14BrNO2S/c1-17-12-5-10(4-11(14)13(12)16)7-15-6-9-2-3-18-8-9/h2-5,8,15-16H,6-7H2,1H3
InChIKeyLJCHDDONQVGXHV-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.51
Rot. Bonds5

About 2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol

2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol (PubChem CID 55162656) has the molecular formula C13H14BrNO2S and a molecular weight of 328.23 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol
PubChem CID55162656
Molecular FormulaC13H14BrNO2S
Molecular Weight328.23 g/mol
Exact Mass326.99
IUPAC Name2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol
SMILESCOc1cc(CNCc2ccsc2)cc(Br)c1O
InChIInChI=1S/C13H14BrNO2S/c1-17-12-5-10(4-11(14)13(12)16)7-15-6-9-2-3-18-8-9/h2-5,8,15-16H,6-7H2,1H3
InChIKeyLJCHDDONQVGXHV-UHFFFAOYSA-N
XLogP3.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-thiophen-3-ylmethanamine
CID 60776937
2-bromo-6-methoxy-4-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 62523498
2-bromo-4-[[(2-chlorophenyl)methylamino]methyl]-6-methoxyphenol
CID 29292955
2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
CID 115671303
3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]propanoic acid
CID 43139962
2-bromo-6-methoxy-4-[(pent-3-ynylamino)methyl]phenol
CID 116642924
2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol
CID 28722263
2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol
CID 28651774
2-bromo-6-methoxy-4-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]phenol
CID 54884828
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(thiophen-3-ylmethyl)methanamine
CID 60760352
2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 104625173
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400031

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol (CID 55162656) is 2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol is COc1cc(CNCc2ccsc2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol?
The InChIKey is LJCHDDONQVGXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2S/c1-17-12-5-10(4-11(14)13(12)16)7-15-6-9-2-3-18-8-9/h2-5,8,15-16H,6-7H2,1H3.
What are the key properties of 2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol?
2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol has a molecular weight of 328.23 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol is sourced from PubChem (CID 55162656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).