1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine

C16H21NOS — CID 115860856

IUPAC1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)c1cc(C)ccc1OC
InChIInChI=1S/C16H21NOS/c1-12-6-9-16(18-3)14(11-12)15(17-2)8-7-13-5-4-10-19-13/h4-6,9-11,15,17H,7-8H2,1-3H3
InChIKeyFQPQZOCKEKXVOI-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.96
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine

1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 115860856) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID115860856
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNC(CCc1cccs1)c1cc(C)ccc1OC
InChIInChI=1S/C16H21NOS/c1-12-6-9-16(18-3)14(11-12)15(17-2)8-7-13-5-4-10-19-13/h4-6,9-11,15,17H,7-8H2,1-3H3
InChIKeyFQPQZOCKEKXVOI-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105144092
1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105093570
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
1-(2-methoxy-5-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848296
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 51212418
N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine
CID 79087818
1-(2,5-dibromophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861201
1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105144559
1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 103374100
1-(3-bromo-2-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 107952963
[1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308893

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine (CID 115860856) is 1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine is CNC(CCc1cccs1)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is FQPQZOCKEKXVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12-6-9-16(18-3)14(11-12)15(17-2)8-7-13-5-4-10-19-13/h4-6,9-11,15,17H,7-8H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine?
1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115860856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).