2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine

C15H17Cl2NOS — CID 115840276

IUPAC2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)c1cc(OC)cs1
InChIInChI=1S/C15H17Cl2NOS/c1-3-18-14(15-8-12(19-2)9-20-15)6-10-4-5-11(16)7-13(10)17/h4-5,7-9,14,18H,3,6H2,1-2H3
InChIKeyZGTKYMGHCDNBNM-UHFFFAOYSA-N
MW330.28 g/mol
LogP4.96
Rot. Bonds6

About 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine

2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine (PubChem CID 115840276) has the molecular formula C15H17Cl2NOS and a molecular weight of 330.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
PubChem CID115840276
Molecular FormulaC15H17Cl2NOS
Molecular Weight330.28 g/mol
Exact Mass329.04
IUPAC Name2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)c1cc(OC)cs1
InChIInChI=1S/C15H17Cl2NOS/c1-3-18-14(15-8-12(19-2)9-20-15)6-10-4-5-11(16)7-13(10)17/h4-5,7-9,14,18H,3,6H2,1-2H3
InChIKeyZGTKYMGHCDNBNM-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 112655672
2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 60818340
2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81122345
2-(3-bromophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122653
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 104998575
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 104998879
N-ethyl-1-(4-methoxythiophen-2-yl)but-3-en-1-amine
CID 115815103
2-(2-bromo-5-methoxyphenyl)-1-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 65325618
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839956
N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine
CID 115835766
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 114855165
N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122534

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine (CID 115840276) is 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine is CCNC(Cc1ccc(Cl)cc1Cl)c1cc(OC)cs1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine?
The InChIKey is ZGTKYMGHCDNBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NOS/c1-3-18-14(15-8-12(19-2)9-20-15)6-10-4-5-11(16)7-13(10)17/h4-5,7-9,14,18H,3,6H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine?
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine has a molecular weight of 330.28 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine is sourced from PubChem (CID 115840276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).