2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol

C15H18BrNO2S — CID 104581933

IUPAC2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NCCc2ccc(Br)s2)c(O)c1
InChIInChI=1S/C15H18BrNO2S/c1-10(13-5-3-11(19-2)9-14(13)18)17-8-7-12-4-6-15(16)20-12/h3-6,9-10,17-18H,7-8H2,1-2H3
InChIKeyBVZISNSIFDCZPO-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.12
Rot. Bonds6

About 2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol

2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol (PubChem CID 104581933) has the molecular formula C15H18BrNO2S and a molecular weight of 356.29 g/mol. Its IUPAC name is 2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol
PubChem CID104581933
Molecular FormulaC15H18BrNO2S
Molecular Weight356.29 g/mol
Exact Mass355.02
IUPAC Name2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)NCCc2ccc(Br)s2)c(O)c1
InChIInChI=1S/C15H18BrNO2S/c1-10(13-5-3-11(19-2)9-14(13)18)17-8-7-12-4-6-15(16)20-12/h3-6,9-10,17-18H,7-8H2,1-2H3
InChIKeyBVZISNSIFDCZPO-UHFFFAOYSA-N
XLogP4.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol
CID 43201413
5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 60903278
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 106042738
1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 106043231
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
CID 62314441
2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
CID 107303120
2-[1-(4-aminobutylamino)ethyl]-5-methoxyphenol
CID 60893810
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
2-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-5-methoxyphenol
CID 65246248
5-methoxy-2-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenol
CID 80682269

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol (CID 104581933) is 2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol is COc1ccc(C(C)NCCc2ccc(Br)s2)c(O)c1.
What is the InChIKey of 2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol?
The InChIKey is BVZISNSIFDCZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S/c1-10(13-5-3-11(19-2)9-14(13)18)17-8-7-12-4-6-15(16)20-12/h3-6,9-10,17-18H,7-8H2,1-2H3.
What are the key properties of 2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol?
2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol has a molecular weight of 356.29 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(5-bromothiophen-2-yl)ethylamino]ethyl]-5-methoxyphenol is sourced from PubChem (CID 104581933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).