1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine

C16H21NOS — CID 105093570

IUPAC1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1ccccc1OC
InChIInChI=1S/C16H21NOS/c1-17-15(10-5-7-13-8-6-12-19-13)14-9-3-4-11-16(14)18-2/h3-4,6,8-9,11-12,15,17H,5,7,10H2,1-2H3
InChIKeyKVNLIRWGXJBOHL-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.04
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine

1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 105093570) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
PubChem CID105093570
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1ccccc1OC
InChIInChI=1S/C16H21NOS/c1-17-15(10-5-7-13-8-6-12-19-13)14-9-3-4-11-16(14)18-2/h3-4,6,8-9,11-12,15,17H,5,7,10H2,1-2H3
InChIKeyKVNLIRWGXJBOHL-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105095361
1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115860856
1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105144559
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 103397395
1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105168382
1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105178716
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
1-(furan-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146981
1-(2-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfinylethanamine
CID 64651150
N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 62790932
1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 105180648
1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146730

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine (CID 105093570) is 1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine is CNC(CCCc1cccs1)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is KVNLIRWGXJBOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-17-15(10-5-7-13-8-6-12-19-13)14-9-3-4-11-16(14)18-2/h3-4,6,8-9,11-12,15,17H,5,7,10H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105093570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).