1-(5-chlorothiophen-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine

C14H16ClNOS — CID 102976218

IUPAC1-(5-chlorothiophen-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CNC(C)c1csc(Cl)c1
InChIInChI=1S/C14H16ClNOS/c1-10(12-7-14(15)18-9-12)16-8-11-5-3-4-6-13(11)17-2/h3-7,9-10,16H,8H2,1-2H3
InChIKeyQRWDSQLPDVNBES-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.26
Rot. Bonds5

About 1-(5-chlorothiophen-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine

1-(5-chlorothiophen-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine (PubChem CID 102976218) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
PubChem CID102976218
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name1-(5-chlorothiophen-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccccc1CNC(C)c1csc(Cl)c1
InChIInChI=1S/C14H16ClNOS/c1-10(12-7-14(15)18-9-12)16-8-11-5-3-4-6-13(11)17-2/h3-7,9-10,16H,8H2,1-2H3
InChIKeyQRWDSQLPDVNBES-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

N-[(2-bromophenyl)methyl]-1-(5-chlorothiophen-3-yl)ethanamine
CID 102976521
1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78950239
1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43427109
1-(4-chloro-3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 82890179
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 102976235
1-(5-chlorothiophen-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 114082779
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[(2-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 43191544
4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile
CID 43191524
2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 107710311
N-[(2-methoxyphenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 43180569

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine (CID 102976218) is 1-(5-chlorothiophen-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine is COc1ccccc1CNC(C)c1csc(Cl)c1.
What is the InChIKey of 1-(5-chlorothiophen-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is QRWDSQLPDVNBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c1-10(12-7-14(15)18-9-12)16-8-11-5-3-4-6-13(11)17-2/h3-7,9-10,16H,8H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine?
1-(5-chlorothiophen-3-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-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 102976218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).