N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine

C15H17F2NS — CID 61472940

IUPACN-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C15H17F2NS/c1-10(7-12-5-6-19-9-12)18-11(2)14-8-13(16)3-4-15(14)17/h3-6,8-11,18H,7H2,1-2H3
InChIKeyLOBBHIQENVWINQ-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.31
Rot. Bonds5

About N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine

N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 61472940) has the molecular formula C15H17F2NS and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID61472940
Molecular FormulaC15H17F2NS
Molecular Weight281.37 g/mol
Exact Mass281.10
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C15H17F2NS/c1-10(7-12-5-6-19-9-12)18-11(2)14-8-13(16)3-4-15(14)17/h3-6,8-11,18H,7H2,1-2H3
InChIKeyLOBBHIQENVWINQ-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 63067487
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54953076
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828542
1-(4-fluorophenyl)-N-(1-thiophen-3-ylpropan-2-yl)propan-1-amine
CID 61473211
N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 43191491
5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 61473528
1-(4-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 63008178
4-fluoro-3-[1-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]phenol
CID 154866336
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43674172
N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 43693054

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine (CID 61472940) is N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NC(C)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is LOBBHIQENVWINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NS/c1-10(7-12-5-6-19-9-12)18-11(2)14-8-13(16)3-4-15(14)17/h3-6,8-11,18H,7H2,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine?
N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 281.37 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 61472940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).