N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine

C16H20FNOS — CID 115860982

IUPACN-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H20FNOS/c1-3-18-15(8-7-13-5-4-10-20-13)12-6-9-16(19-2)14(17)11-12/h4-6,9-11,15,18H,3,7-8H2,1-2H3
InChIKeyRSSPRWDALZULPO-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.18
Rot. Bonds7

About N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine

N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 115860982) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID115860982
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC NameN-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H20FNOS/c1-3-18-15(8-7-13-5-4-10-20-13)12-6-9-16(19-2)14(17)11-12/h4-6,9-11,15,18H,3,7-8H2,1-2H3
InChIKeyRSSPRWDALZULPO-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105144559
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226
N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63775928
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860987
1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 63775555
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860962
1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860979
2-[2-bromo-2-(3-fluoro-4-methoxyphenyl)ethyl]thiophene
CID 63018350
3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 104995042
[1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308969
N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine
CID 63773695

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine (CID 115860982) is N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)c1ccc(OC)c(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is RSSPRWDALZULPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c1-3-18-15(8-7-13-5-4-10-20-13)12-6-9-16(19-2)14(17)11-12/h4-6,9-11,15,18H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine?
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115860982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).