2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine

C14H16ClNOS — CID 81122254

IUPAC2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1sccc1OC
InChIInChI=1S/C14H16ClNOS/c1-16-12(14-13(17-2)7-8-18-14)9-10-5-3-4-6-11(10)15/h3-8,12,16H,9H2,1-2H3
InChIKeyCSXDIQLASOJCOA-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.91
Rot. Bonds5

About 2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine

2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine (PubChem CID 81122254) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
PubChem CID81122254
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Cl)c1sccc1OC
InChIInChI=1S/C14H16ClNOS/c1-16-12(14-13(17-2)7-8-18-14)9-10-5-3-4-6-11(10)15/h3-8,12,16H,9H2,1-2H3
InChIKeyCSXDIQLASOJCOA-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 80528966
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105035509
1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 55239918
[1-(3-methoxythiophen-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105285283
1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 61079470
2-(2-chlorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylethanamine
CID 81122345
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81121763
[2-(3-chloro-4-pyridinyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105314849
1-(5-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 43480061
2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053
1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 115846200
1-(3-methoxythiophen-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997024

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine (CID 81122254) is 2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine is CNC(Cc1ccccc1Cl)c1sccc1OC.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine?
The InChIKey is CSXDIQLASOJCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-16-12(14-13(17-2)7-8-18-14)9-10-5-3-4-6-11(10)15/h3-8,12,16H,9H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine?
2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine has a molecular weight of 281.81 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 81122254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).