1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine

C14H16ClNO2S — CID 80529864

IUPAC1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2sccc2Cl)cc1OC
InChIInChI=1S/C14H16ClNO2S/c1-17-12-4-3-9(8-13(12)18-2)7-11(16)14-10(15)5-6-19-14/h3-6,8,11H,7,16H2,1-2H3
InChIKeySYGRXCAKNVQSBE-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.66
Rot. Bonds5

About 1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine

1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine (PubChem CID 80529864) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine
PubChem CID80529864
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(CC(N)c2sccc2Cl)cc1OC
InChIInChI=1S/C14H16ClNO2S/c1-17-12-4-3-9(8-13(12)18-2)7-11(16)14-10(15)5-6-19-14/h3-6,8,11H,7,16H2,1-2H3
InChIKeySYGRXCAKNVQSBE-UHFFFAOYSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 80530112
(1R)-1-(3-chlorothiophen-2-yl)-2-methoxyethanamine
CID 130987016
2-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]-3-methoxythiophene
CID 81129753
1-(3-chlorothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115865039
1-(3-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanamine
CID 115864309
2-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-3-ethylthiophene
CID 79974959
1-(4-chloro-3-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 107988738
1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine
CID 55095413
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868
2-(3,4-dimethoxyphenyl)-1-(4-iodophenyl)ethanamine
CID 61079391
1-(3-chlorothiophen-2-yl)-2-(furan-3-yl)ethanamine
CID 105030098
2-(2-chloro-5-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 102622497

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine (CID 80529864) is 1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine is COc1ccc(CC(N)c2sccc2Cl)cc1OC.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine?
The InChIKey is SYGRXCAKNVQSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-17-12-4-3-9(8-13(12)18-2)7-11(16)14-10(15)5-6-19-14/h3-6,8,11H,7,16H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine?
1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine has a molecular weight of 297.81 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 80529864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).