1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine

C14H16ClNOS — CID 43427109

IUPAC1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CNC(C)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNOS/c1-10(13-7-8-14(15)18-13)16-9-11-5-3-4-6-12(11)17-2/h3-8,10,16H,9H2,1-2H3
InChIKeyWJGVLYBJMGMMFD-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.26
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine (PubChem CID 43427109) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
PubChem CID43427109
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CNC(C)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNOS/c1-10(13-7-8-14(15)18-13)16-9-11-5-3-4-6-12(11)17-2/h3-8,10,16H,9H2,1-2H3
InChIKeyWJGVLYBJMGMMFD-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 43432624
1-(5-chlorothiophen-2-yl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43432665
(1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 94114613
1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47027581
1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 43432651
1-(5-chlorothiophen-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 102976218
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol
CID 43432574
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43439053
2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 61469258
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43432626
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine (CID 43427109) is 1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine is COc1ccccc1CNC(C)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is WJGVLYBJMGMMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-10(13-7-8-14(15)18-13)16-9-11-5-3-4-6-12(11)17-2/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine has a molecular weight of 281.81 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43427109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).