2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine

C15H17Cl2NS — CID 115863104

IUPAC2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2cc(Cl)ccc2Cl)NC)s1
InChIInChI=1S/C15H17Cl2NS/c1-3-12-5-7-15(19-12)14(18-2)9-10-8-11(16)4-6-13(10)17/h4-8,14,18H,3,9H2,1-2H3
InChIKeyCDYGRRPTDWEIKE-UHFFFAOYSA-N
MW314.28 g/mol
LogP5.12
Rot. Bonds5

About 2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine

2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine (PubChem CID 115863104) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
PubChem CID115863104
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC Name2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2cc(Cl)ccc2Cl)NC)s1
InChIInChI=1S/C15H17Cl2NS/c1-3-12-5-7-15(19-12)14(18-2)9-10-8-11(16)4-6-13(10)17/h4-8,14,18H,3,9H2,1-2H3
InChIKeyCDYGRRPTDWEIKE-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.28
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 62504774
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115844980
1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377421
2-(2,5-dichlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 115863017
1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43480719
2-(2,5-dichlorophenyl)-1-(4-iodophenyl)-N-methylethanamine
CID 115863090
[1-(2,5-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105296377
2-(2,5-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105151334
1-(5-ethylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015058
1-(4-bromo-3-chlorophenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115863277
2-(2,5-difluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115810060
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine (CID 115863104) is 2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine is CCc1ccc(C(Cc2cc(Cl)ccc2Cl)NC)s1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine?
The InChIKey is CDYGRRPTDWEIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS/c1-3-12-5-7-15(19-12)14(18-2)9-10-8-11(16)4-6-13(10)17/h4-8,14,18H,3,9H2,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine?
2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine has a molecular weight of 314.28 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 115863104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).