3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine

C16H20ClNO2S — CID 83975945

IUPAC3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine
SMILESCCOc1cc(CC(CN)c2cccs2)cc(Cl)c1OC
InChIInChI=1S/C16H20ClNO2S/c1-3-20-14-9-11(8-13(17)16(14)19-2)7-12(10-18)15-5-4-6-21-15/h4-6,8-9,12H,3,7,10,18H2,1-2H3
InChIKeyZDTGGYIPBXTNNN-UHFFFAOYSA-N
MW325.86 g/mol
LogP4.09
Rot. Bonds7

About 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine

3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine (PubChem CID 83975945) has the molecular formula C16H20ClNO2S and a molecular weight of 325.86 g/mol. Its IUPAC name is 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine
PubChem CID83975945
Molecular FormulaC16H20ClNO2S
Molecular Weight325.86 g/mol
Exact Mass325.09
IUPAC Name3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine
SMILESCCOc1cc(CC(CN)c2cccs2)cc(Cl)c1OC
InChIInChI=1S/C16H20ClNO2S/c1-3-20-14-9-11(8-13(17)16(14)19-2)7-12(10-18)15-5-4-6-21-15/h4-6,8-9,12H,3,7,10,18H2,1-2H3
InChIKeyZDTGGYIPBXTNNN-UHFFFAOYSA-N
XLogP4.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-thiophen-2-ylethanamine
CID 21156725
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 112538807
3-(2-chloro-3,4-dimethoxyphenyl)-2-thiophen-2-ylpropan-1-amine
CID 83975930
3-(3-chloro-5-ethoxy-4-pentoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22681743
2-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-1-thiophen-2-ylethanamine
CID 21157645
3-(3-chloro-4,5-dimethoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977408
3-(3,5-dichloro-4-ethoxyphenyl)-2-pyridin-2-ylpropan-1-amine
CID 83975851
3-(3-butoxyphenyl)-2-thiophen-2-ylpropan-1-amine
CID 83975965
2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine
CID 21157649
2-(1H-benzimidazol-2-yl)-3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 112539106
3-(3,5-dichloro-4-methoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 112539072
3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977058

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine (CID 83975945) is 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine is CCOc1cc(CC(CN)c2cccs2)cc(Cl)c1OC.
What is the InChIKey of 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine?
The InChIKey is ZDTGGYIPBXTNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2S/c1-3-20-14-9-11(8-13(17)16(14)19-2)7-12(10-18)15-5-4-6-21-15/h4-6,8-9,12H,3,7,10,18H2,1-2H3.
What are the key properties of 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine?
3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine has a molecular weight of 325.86 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 83975945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).