4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol

C15H18ClNO2S — CID 106041991

IUPAC4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NCCc2ccc(Cl)s2)ccc1O
InChIInChI=1S/C15H18ClNO2S/c1-10(11-3-5-13(18)14(9-11)19-2)17-8-7-12-4-6-15(16)20-12/h3-6,9-10,17-18H,7-8H2,1-2H3
InChIKeySHIMQZASUOZPLI-UHFFFAOYSA-N
MW311.83 g/mol
LogP4.01
Rot. Bonds6

About 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol

4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol (PubChem CID 106041991) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol
PubChem CID106041991
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Name4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NCCc2ccc(Cl)s2)ccc1O
InChIInChI=1S/C15H18ClNO2S/c1-10(11-3-5-13(18)14(9-11)19-2)17-8-7-12-4-6-15(16)20-12/h3-6,9-10,17-18H,7-8H2,1-2H3
InChIKeySHIMQZASUOZPLI-UHFFFAOYSA-N
XLogP4.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[1-(2-phenylethylamino)ethyl]phenol
CID 43194110
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106041315
2-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106042146
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine
CID 106041158
4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
CID 43590855
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 106041323
4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol
CID 43196184
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210959
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 106041834
N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine
CID 106042292

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol (CID 106041991) is 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol is COc1cc(C(C)NCCc2ccc(Cl)s2)ccc1O.
What is the InChIKey of 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol?
The InChIKey is SHIMQZASUOZPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S/c1-10(11-3-5-13(18)14(9-11)19-2)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 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol?
4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol has a molecular weight of 311.83 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol is sourced from PubChem (CID 106041991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).