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

C16H21NOS — CID 63774226

IUPACN-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C16H21NOS/c1-3-17-16(11-10-15-5-4-12-19-15)13-6-8-14(18-2)9-7-13/h4-9,12,16-17H,3,10-11H2,1-2H3
InChIKeyVNHVOWYQOQYHGM-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.04
Rot. Bonds7

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

N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 63774226) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID63774226
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C16H21NOS/c1-3-17-16(11-10-15-5-4-12-19-15)13-6-8-14(18-2)9-7-13/h4-9,12,16-17H,3,10-11H2,1-2H3
InChIKeyVNHVOWYQOQYHGM-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860987
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860982
1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105095361
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
1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860979
N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63775928
1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 63775555
N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 63776349
1-(4-iodophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115861151
1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
CID 43692687
N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 102951660

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine (CID 63774226) is N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is VNHVOWYQOQYHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-17-16(11-10-15-5-4-12-19-15)13-6-8-14(18-2)9-7-13/h4-9,12,16-17H,3,10-11H2,1-2H3.
What are the key properties of N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine?
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 63774226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).