N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine

C14H14Cl3NS — CID 43288121

IUPACN-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine
SMILESCCNC(C)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)s1
InChIInChI=1S/C14H14Cl3NS/c1-3-18-8(2)12-4-5-13(19-12)14-10(16)6-9(15)7-11(14)17/h4-8,18H,3H2,1-2H3
InChIKeyIZSHBVHOJAZMJE-UHFFFAOYSA-N
MW334.70 g/mol
LogP6.05
Rot. Bonds4

About N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine

N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine (PubChem CID 43288121) has the molecular formula C14H14Cl3NS and a molecular weight of 334.70 g/mol. Its IUPAC name is N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine
PubChem CID43288121
Molecular FormulaC14H14Cl3NS
Molecular Weight334.70 g/mol
Exact Mass332.99
IUPAC NameN-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine
SMILESCCNC(C)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)s1
InChIInChI=1S/C14H14Cl3NS/c1-3-18-8(2)12-4-5-13(19-12)14-10(16)6-9(15)7-11(14)17/h4-8,18H,3H2,1-2H3
InChIKeyIZSHBVHOJAZMJE-UHFFFAOYSA-N
XLogP6.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.70
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine
CID 43288278
1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine
CID 107622673
N-[1-[5-(2,4-dichlorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288307
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine
CID 43287935
N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine
CID 79049374
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
N-ethyl-1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanamine
CID 43287860
N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine
CID 43287447
1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79780970
N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 63400734
1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-ethyl-2-methylpropan-1-amine
CID 107530684
1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62651933

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine (CID 43288121) is N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine is CCNC(C)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)s1.
What is the InChIKey of N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine?
The InChIKey is IZSHBVHOJAZMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl3NS/c1-3-18-8(2)12-4-5-13(19-12)14-10(16)6-9(15)7-11(14)17/h4-8,18H,3H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine?
N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine has a molecular weight of 334.70 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine is sourced from PubChem (CID 43288121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).