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

C15H17F2NS — CID 55095017

IUPACN-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1F)c1ccsc1
InChIInChI=1S/C15H17F2NS/c1-2-7-18-14(12-6-8-19-10-12)9-11-4-3-5-13(16)15(11)17/h3-6,8,10,14,18H,2,7,9H2,1H3
InChIKeyMKIWRNDSNUGVST-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.31
Rot. Bonds6

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

N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine (PubChem CID 55095017) has the molecular formula C15H17F2NS and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
PubChem CID55095017
Molecular FormulaC15H17F2NS
Molecular Weight281.37 g/mol
Exact Mass281.10
IUPAC NameN-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1F)c1ccsc1
InChIInChI=1S/C15H17F2NS/c1-2-7-18-14(12-6-8-19-10-12)9-11-4-3-5-13(16)15(11)17/h3-6,8,10,14,18H,2,7,9H2,1H3
InChIKeyMKIWRNDSNUGVST-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

2-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 62601484
N-[1-(4-bromophenyl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 63412021
1-(2,3-difluorophenyl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 115845113
N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 63412592
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
N-[2-(4-iodophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 65477900
2-(2-fluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 60820385
N-[2-(3-bromophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 60820051
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211
N-[1-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 102827764
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
N-[1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 106854725

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine (CID 55095017) is N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1cccc(F)c1F)c1ccsc1.
What is the InChIKey of N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is MKIWRNDSNUGVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NS/c1-2-7-18-14(12-6-8-19-10-12)9-11-4-3-5-13(16)15(11)17/h3-6,8,10,14,18H,2,7,9H2,1H3.
What are the key properties of N-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine?
N-[2-(2,3-difluorophenyl)-1-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-[2-(2,3-difluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 55095017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).