1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine

C15H17Cl2NOS — CID 106259694

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccccc1CCNC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H17Cl2NOS/c1-10(12-9-14(16)20-15(12)17)18-8-7-11-5-3-4-6-13(11)19-2/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyVBHBWNJXDBSBJI-UHFFFAOYSA-N
MW330.28 g/mol
LogP4.96
Rot. Bonds6

About 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine (PubChem CID 106259694) has the molecular formula C15H17Cl2NOS and a molecular weight of 330.28 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
PubChem CID106259694
Molecular FormulaC15H17Cl2NOS
Molecular Weight330.28 g/mol
Exact Mass329.04
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccccc1CCNC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H17Cl2NOS/c1-10(12-9-14(16)20-15(12)17)18-8-7-11-5-3-4-6-13(11)19-2/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyVBHBWNJXDBSBJI-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259982
3-[1-bromo-2-(2-methoxyphenyl)ethyl]-2,5-dichlorothiophene
CID 63445258
3-fluoro-4-[1-[2-(2-methoxyphenyl)ethylamino]ethyl]phenol
CID 106259746
1-(2-bromo-4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259760
1-(2,5-dichlorothiophen-3-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 113262767
1-(3,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259657
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
N-[2-(2-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 103775879
1-(2,5-dichlorothiophen-3-yl)-N-(2-ethoxyethyl)ethanamine
CID 115709946
1,1-dimethoxy-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 106259984
1-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 103910225
1-(furan-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 113259789

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine (CID 106259694) is 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine is COc1ccccc1CCNC(C)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine?
The InChIKey is VBHBWNJXDBSBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NOS/c1-10(12-9-14(16)20-15(12)17)18-8-7-11-5-3-4-6-13(11)19-2/h3-6,9-10,18H,7-8H2,1-2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine has a molecular weight of 330.28 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 106259694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).