2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine

C15H18ClNOS — CID 81122564

IUPAC2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1sccc1OC
InChIInChI=1S/C15H18ClNOS/c1-3-17-13(15-14(18-2)7-8-19-15)10-11-5-4-6-12(16)9-11/h4-9,13,17H,3,10H2,1-2H3
InChIKeyDHXNIIVUBYKVKU-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.30
Rot. Bonds6

About 2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine

2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine (PubChem CID 81122564) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
PubChem CID81122564
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1sccc1OC
InChIInChI=1S/C15H18ClNOS/c1-3-17-13(15-14(18-2)7-8-19-15)10-11-5-4-6-12(16)9-11/h4-9,13,17H,3,10H2,1-2H3
InChIKeyDHXNIIVUBYKVKU-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloro-4-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 103043241
N-[1-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63796209
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81121763
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105086113
2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
CID 80529067
2-(3-chlorophenyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 63412584
2-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63412120
2-(3-chlorophenyl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 79693343
1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829741
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
CID 115843885
2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105085899
2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 63412084

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine (CID 81122564) is 2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine is CCNC(Cc1cccc(Cl)c1)c1sccc1OC.
What is the InChIKey of 2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine?
The InChIKey is DHXNIIVUBYKVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-3-17-13(15-14(18-2)7-8-19-15)10-11-5-4-6-12(16)9-11/h4-9,13,17H,3,10H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine?
2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine has a molecular weight of 295.84 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine is sourced from PubChem (CID 81122564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).