1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine

C16H21NO2S — CID 61078732

IUPAC1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H21NO2S/c1-4-17-16(7-12-5-6-20-11-12)13-8-14(18-2)10-15(9-13)19-3/h5-6,8-11,16-17H,4,7H2,1-3H3
InChIKeyGEZIJCLORSCPHX-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.66
Rot. Bonds7

About 1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine

1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine (PubChem CID 61078732) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
PubChem CID61078732
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H21NO2S/c1-4-17-16(7-12-5-6-20-11-12)13-8-14(18-2)10-15(9-13)19-3/h5-6,8-11,16-17H,4,7H2,1-3H3
InChIKeyGEZIJCLORSCPHX-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078742
1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381
1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105164504
N-ethyl-2-(3-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 61065390
N-ethyl-1-(4-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078389
N-ethyl-1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanamine
CID 114821235
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 115354103
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 106682372
4-[1-(ethylamino)-2-thiophen-3-ylethyl]-N,N-dimethylaniline
CID 105137654
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 55162373
N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine
CID 65433257

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine (CID 61078732) is 1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine?
The InChIKey is GEZIJCLORSCPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-4-17-16(7-12-5-6-20-11-12)13-8-14(18-2)10-15(9-13)19-3/h5-6,8-11,16-17H,4,7H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine?
1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine has a molecular weight of 291.42 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 61078732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).