N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine

C14H18ClNS2 — CID 106042121

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
SMILESCc1cc(C(C)NCCc2ccc(Cl)s2)c(C)s1
InChIInChI=1S/C14H18ClNS2/c1-9-8-13(11(3)17-9)10(2)16-7-6-12-4-5-14(15)18-12/h4-5,8,10,16H,6-7H2,1-3H3
InChIKeyCWCCHUFMJLATDT-UHFFFAOYSA-N
MW299.89 g/mol
LogP4.97
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine (PubChem CID 106042121) has the molecular formula C14H18ClNS2 and a molecular weight of 299.89 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
PubChem CID106042121
Molecular FormulaC14H18ClNS2
Molecular Weight299.89 g/mol
Exact Mass299.06
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
SMILESCc1cc(C(C)NCCc2ccc(Cl)s2)c(C)s1
InChIInChI=1S/C14H18ClNS2/c1-9-8-13(11(3)17-9)10(2)16-7-6-12-4-5-14(15)18-12/h4-5,8,10,16H,6-7H2,1-3H3
InChIKeyCWCCHUFMJLATDT-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.89
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,4-dichloro-5-fluorophenyl)ethanamine
CID 106041218
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 106041315
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 106042044
N-[2-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 115713587
2-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106042146
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylsulfanylbutan-1-amine
CID 115716050
1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine
CID 43200659
N-[(2,6-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43432404
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine
CID 115713605
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879163
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine
CID 106041158

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine (CID 106042121) is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine is Cc1cc(C(C)NCCc2ccc(Cl)s2)c(C)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine?
The InChIKey is CWCCHUFMJLATDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNS2/c1-9-8-13(11(3)17-9)10(2)16-7-6-12-4-5-14(15)18-12/h4-5,8,10,16H,6-7H2,1-3H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine has a molecular weight of 299.89 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine is sourced from PubChem (CID 106042121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).