1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol

C15H17F2NOS — CID 65243575

IUPAC1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol
SMILESCc1cc(CNCC(O)c2ccc(F)cc2F)sc1C
InChIInChI=1S/C15H17F2NOS/c1-9-5-12(20-10(9)2)7-18-8-15(19)13-4-3-11(16)6-14(13)17/h3-6,15,18-19H,7-8H2,1-2H3
InChIKeyXJYZRYFKRMFKRU-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.47
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol

1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol (PubChem CID 65243575) has the molecular formula C15H17F2NOS and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol
PubChem CID65243575
Molecular FormulaC15H17F2NOS
Molecular Weight297.37 g/mol
Exact Mass297.10
IUPAC Name1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol
SMILESCc1cc(CNCC(O)c2ccc(F)cc2F)sc1C
InChIInChI=1S/C15H17F2NOS/c1-9-5-12(20-10(9)2)7-18-8-15(19)13-4-3-11(16)6-14(13)17/h3-6,15,18-19H,7-8H2,1-2H3
InChIKeyXJYZRYFKRMFKRU-UHFFFAOYSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
(2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol
CID 106932207
N-[(2,5-difluorophenyl)methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65246330
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-fluoro-2-methylphenyl)methanamine
CID 65246100
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-1-methoxybutan-2-ol
CID 106246645
1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
CID 54937805
1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
CID 103710489
1-(2,4-difluorophenyl)-2-[(6-methyl-2-pyridinyl)methylamino]ethanol
CID 62321964
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696
1-(2,4-difluorophenyl)-2-[2-(3-methylphenyl)ethylamino]ethanol
CID 62315194

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol (CID 65243575) is 1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol is Cc1cc(CNCC(O)c2ccc(F)cc2F)sc1C.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol?
The InChIKey is XJYZRYFKRMFKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NOS/c1-9-5-12(20-10(9)2)7-18-8-15(19)13-4-3-11(16)6-14(13)17/h3-6,15,18-19H,7-8H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol?
1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol has a molecular weight of 297.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol is sourced from PubChem (CID 65243575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).