1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine

C18H19NOS — CID 81129107

IUPAC1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)c1cccc2ccsc12
InChIInChI=1S/C18H19NOS/c1-19-17(12-13-6-8-15(20-2)9-7-13)16-5-3-4-14-10-11-21-18(14)16/h3-11,17,19H,12H2,1-2H3
InChIKeySCFYNPUYJAAZDK-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.41
Rot. Bonds5

About 1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine

1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 81129107) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine
PubChem CID81129107
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)c1cccc2ccsc12
InChIInChI=1S/C18H19NOS/c1-19-17(12-13-6-8-15(20-2)9-7-13)16-5-3-4-14-10-11-21-18(14)16/h3-11,17,19H,12H2,1-2H3
InChIKeySCFYNPUYJAAZDK-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 81128451
[1-(1-benzothiophen-7-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211276
1-(1-benzothiophen-7-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 81300650
1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81477959
1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61065172
1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine
CID 105022083
1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215996
1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 105021845
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482745
1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61064465
1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine
CID 105021986
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine (CID 81129107) is 1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(OC)cc1)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is SCFYNPUYJAAZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-19-17(12-13-6-8-15(20-2)9-7-13)16-5-3-4-14-10-11-21-18(14)16/h3-11,17,19H,12H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine?
1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 297.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 81129107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).