N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine

C15H17F2NS — CID 61079665

IUPACN-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H17F2NS/c1-2-4-18-15(6-11-3-5-19-10-11)12-7-13(16)9-14(17)8-12/h3,5,7-10,15,18H,2,4,6H2,1H3
InChIKeyXIDVRBQDMWTOED-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.31
Rot. Bonds6

About N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 61079665) has the molecular formula C15H17F2NS and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID61079665
Molecular FormulaC15H17F2NS
Molecular Weight281.37 g/mol
Exact Mass281.10
IUPAC NameN-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1cc(F)cc(F)c1
InChIInChI=1S/C15H17F2NS/c1-2-4-18-15(6-11-3-5-19-10-11)12-7-13(16)9-14(17)8-12/h3,5,7-10,15,18H,2,4,6H2,1H3
InChIKeyXIDVRBQDMWTOED-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

N-[1-(3-fluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078925
N-[1-(3-fluoro-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078926
N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078742
N-[1-(4-fluoro-2-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 81276214
N-[1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63417284
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 107945517
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62791253
N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079126
N-[2-(3,4-dimethylphenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 63413251
N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80645193
N-[1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62199949

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine (CID 61079665) is N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is XIDVRBQDMWTOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NS/c1-2-4-18-15(6-11-3-5-19-10-11)12-7-13(16)9-14(17)8-12/h3,5,7-10,15,18H,2,4,6H2,1H3.
What are the key properties of N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 281.37 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 61079665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).