2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol

C14H15F2NOS — CID 79831318

IUPAC2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
SMILESCCC(NCc1cc(F)c(O)c(F)c1)c1cccs1
InChIInChI=1S/C14H15F2NOS/c1-2-12(13-4-3-5-19-13)17-8-9-6-10(15)14(18)11(16)7-9/h3-7,12,17-18H,2,8H2,1H3
InChIKeyDWFWETBZGJEJIL-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.97
Rot. Bonds5

About 2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol

2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol (PubChem CID 79831318) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is 2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
PubChem CID79831318
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
SMILESCCC(NCc1cc(F)c(O)c(F)c1)c1cccs1
InChIInChI=1S/C14H15F2NOS/c1-2-12(13-4-3-5-19-13)17-8-9-6-10(15)14(18)11(16)7-9/h3-7,12,17-18H,2,8H2,1H3
InChIKeyDWFWETBZGJEJIL-UHFFFAOYSA-N
XLogP3.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 61057517
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
N-[(3-bromo-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 79710933
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881
N-[(2,4-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057095
N-[(4-bromo-3-fluorophenyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 81436822
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 106263333
N-[(2-chloro-5-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 102609818
6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol
CID 79782907
N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058748
N-[(3-bromo-5-nitrophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 103350686
2,6-difluoro-4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 103924370

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol (CID 79831318) is 2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol is CCC(NCc1cc(F)c(O)c(F)c1)c1cccs1.
What is the InChIKey of 2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol?
The InChIKey is DWFWETBZGJEJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-2-12(13-4-3-5-19-13)17-8-9-6-10(15)14(18)11(16)7-9/h3-7,12,17-18H,2,8H2,1H3.
What are the key properties of 2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol?
2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol has a molecular weight of 283.34 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[(1-thiophen-2-ylpropylamino)methyl]phenol is sourced from PubChem (CID 79831318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).