2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine

C14H15Cl2NS — CID 80529053

IUPAC2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)c1sccc1Cl
InChIInChI=1S/C14H15Cl2NS/c1-2-17-13(14-12(16)7-8-18-14)9-10-5-3-4-6-11(10)15/h3-8,13,17H,2,9H2,1H3
InChIKeyUUUFAXNCGPPRRN-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.95
Rot. Bonds5

About 2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine

2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine (PubChem CID 80529053) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
PubChem CID80529053
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccccc1Cl)c1sccc1Cl
InChIInChI=1S/C14H15Cl2NS/c1-2-17-13(14-12(16)7-8-18-14)9-10-5-3-4-6-11(10)15/h3-8,13,17H,2,9H2,1H3
InChIKeyUUUFAXNCGPPRRN-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 102866395
N-[1-(3-bromothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63798111
2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841258
1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43492316
2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80641097
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine
CID 107359766
1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 107359774
2-(2,6-dichlorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988271
N-[1-(3-chlorothiophen-2-yl)-2-(2-nitrophenyl)ethyl]propan-1-amine
CID 80644819
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
CID 115846003
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine (CID 80529053) is 2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine is CCNC(Cc1ccccc1Cl)c1sccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The InChIKey is UUUFAXNCGPPRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-2-17-13(14-12(16)7-8-18-14)9-10-5-3-4-6-11(10)15/h3-8,13,17H,2,9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine has a molecular weight of 300.25 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 80529053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).