1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine

C15H17Cl2NS — CID 107102194

IUPAC1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1cccc(Cl)c1C
InChIInChI=1S/C15H17Cl2NS/c1-3-18-14(9-11-7-8-15(17)19-11)12-5-4-6-13(16)10(12)2/h4-8,14,18H,3,9H2,1-2H3
InChIKeyAOPGZHGYIDGWQF-UHFFFAOYSA-N
MW314.28 g/mol
LogP5.26
Rot. Bonds5

About 1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine

1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine (PubChem CID 107102194) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
PubChem CID107102194
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC Name1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1cccc(Cl)c1C
InChIInChI=1S/C15H17Cl2NS/c1-3-18-14(9-11-7-8-15(17)19-11)12-5-4-6-13(16)10(12)2/h4-8,14,18H,3,9H2,1-2H3
InChIKeyAOPGZHGYIDGWQF-UHFFFAOYSA-N
XLogP5.26
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 ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 107102196
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105135284
1-(3-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107952692
N-[1-(3-bromo-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841512
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790134
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 115841647
1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine
CID 107101962
1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841770
[2-(5-chlorothiophen-2-yl)-1-(2,3-dimethylphenyl)ethyl]hydrazine
CID 105295852
2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine
CID 107102242
2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine
CID 115841070
1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107992590

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine (CID 107102194) is 1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)s1)c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The InChIKey is AOPGZHGYIDGWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS/c1-3-18-14(9-11-7-8-15(17)19-11)12-5-4-6-13(16)10(12)2/h4-8,14,18H,3,9H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine has a molecular weight of 314.28 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 107102194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).