2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine

C14H15Cl2NOS — CID 107361703

IUPAC2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(COc1ccc(Cl)cc1)c1sccc1Cl
InChIInChI=1S/C14H15Cl2NOS/c1-2-17-13(14-12(16)7-8-19-14)9-18-11-5-3-10(15)4-6-11/h3-8,13,17H,2,9H2,1H3
InChIKeyYZJZSUBVEJPWDL-UHFFFAOYSA-N
MW316.25 g/mol
LogP4.78
Rot. Bonds6

About 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine

2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine (PubChem CID 107361703) has the molecular formula C14H15Cl2NOS and a molecular weight of 316.25 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
PubChem CID107361703
Molecular FormulaC14H15Cl2NOS
Molecular Weight316.25 g/mol
Exact Mass315.03
IUPAC Name2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(COc1ccc(Cl)cc1)c1sccc1Cl
InChIInChI=1S/C14H15Cl2NOS/c1-2-17-13(14-12(16)7-8-19-14)9-18-11-5-3-10(15)4-6-11/h3-8,13,17H,2,9H2,1H3
InChIKeyYZJZSUBVEJPWDL-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol
CID 107361953
N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 107361780
1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine
CID 107359701
N-[(3-chlorothiophen-2-yl)-(4-propoxyphenyl)methyl]ethanamine
CID 115853483
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 107360376
1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 107359774
1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine
CID 107359766
1-(3-chlorothiophen-2-yl)-4-ethoxy-N-ethylbutan-1-amine
CID 107361923
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
CID 115846003
2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 105143838
2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine (CID 107361703) is 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine is CCNC(COc1ccc(Cl)cc1)c1sccc1Cl.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The InChIKey is YZJZSUBVEJPWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NOS/c1-2-17-13(14-12(16)7-8-19-14)9-18-11-5-3-10(15)4-6-11/h3-8,13,17H,2,9H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine has a molecular weight of 316.25 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 107361703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).