N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine

C15H18FNS — CID 63775928

IUPACN-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cccc(F)c1
InChIInChI=1S/C15H18FNS/c1-2-17-15(9-8-14-7-4-10-18-14)12-5-3-6-13(16)11-12/h3-7,10-11,15,17H,2,8-9H2,1H3
InChIKeyKWFYJYUAECUCIN-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.17
Rot. Bonds6

About N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine

N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 63775928) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID63775928
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC NameN-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cccc(F)c1
InChIInChI=1S/C15H18FNS/c1-2-17-15(9-8-14-7-4-10-18-14)12-5-3-6-13(16)11-12/h3-7,10-11,15,17H,2,8-9H2,1H3
InChIKeyKWFYJYUAECUCIN-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-fluorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645347
1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 63775555
1-(2-bromo-5-fluorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860919
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860982
1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860979
N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine
CID 63773695
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860962
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226
1-(3-bromophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63774616
1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860987
2-[4-bromo-3-(3-fluorophenyl)butyl]thiophene
CID 79432221
1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
CID 114871253

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine (CID 63775928) is N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is KWFYJYUAECUCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-2-17-15(9-8-14-7-4-10-18-14)12-5-3-6-13(16)11-12/h3-7,10-11,15,17H,2,8-9H2,1H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine?
N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 63775928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).