4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol

C15H18FNOS — CID 107715200

IUPAC4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol
SMILESCc1cc(CNC(C)c2ccc(O)cc2F)sc1C
InChIInChI=1S/C15H18FNOS/c1-9-6-13(19-11(9)3)8-17-10(2)14-5-4-12(18)7-15(14)16/h4-7,10,17-18H,8H2,1-3H3
InChIKeyDSYFOKWEHHADCJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.06
Rot. Bonds4

About 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol

4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol (PubChem CID 107715200) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol
PubChem CID107715200
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol
SMILESCc1cc(CNC(C)c2ccc(O)cc2F)sc1C
InChIInChI=1S/C15H18FNOS/c1-9-6-13(19-11(9)3)8-17-10(2)14-5-4-12(18)7-15(14)16/h4-7,10,17-18H,8H2,1-3H3
InChIKeyDSYFOKWEHHADCJ-UHFFFAOYSA-N
XLogP4.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol
CID 65246414
2-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-5-methoxyphenol
CID 65246248
4-[1-[(4-ethylphenyl)methylamino]ethyl]-3-fluorophenol
CID 107715500
3-fluoro-4-[1-[(2-methylpyrazol-3-yl)methylamino]ethyl]phenol
CID 107715132
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzene-1,3-diol
CID 55029885
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 65246138
1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol
CID 65243575
4-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]ethyl]-3-fluorophenol
CID 107715527
1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107167584
3-fluoro-4-[1-(5-methylhexylamino)ethyl]phenol
CID 107715334
3-fluoro-4-[1-[(4-methylcyclohexyl)methylamino]ethyl]phenol
CID 107715127

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol (CID 107715200) is 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol is Cc1cc(CNC(C)c2ccc(O)cc2F)sc1C.
What is the InChIKey of 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol?
The InChIKey is DSYFOKWEHHADCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-9-6-13(19-11(9)3)8-17-10(2)14-5-4-12(18)7-15(14)16/h4-7,10,17-18H,8H2,1-3H3.
What are the key properties of 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol?
4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol has a molecular weight of 279.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol is sourced from PubChem (CID 107715200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).