1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine

C17H23NO2S — CID 105168382

IUPAC1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C17H23NO2S/c1-18-17(8-4-6-16-7-5-9-21-16)13-10-14(19-2)12-15(11-13)20-3/h5,7,9-12,17-18H,4,6,8H2,1-3H3
InChIKeyIKSKDESFNXQPFG-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.05
Rot. Bonds8

About 1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine

1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 105168382) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
PubChem CID105168382
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1cc(OC)cc(OC)c1
InChIInChI=1S/C17H23NO2S/c1-18-17(8-4-6-16-7-5-9-21-16)13-10-14(19-2)12-15(11-13)20-3/h5,7,9-12,17-18H,4,6,8H2,1-3H3
InChIKeyIKSKDESFNXQPFG-UHFFFAOYSA-N
XLogP4.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105095361
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-cyclopropyloxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105188622
1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105170024
1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105093570
1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146730
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105178278
1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105178716
1-(furan-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146981
N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine
CID 105172657
N-methyl-1-quinolin-6-yl-4-thiophen-2-ylbutan-1-amine
CID 105172395

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine (CID 105168382) is 1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine is CNC(CCCc1cccs1)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is IKSKDESFNXQPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-18-17(8-4-6-16-7-5-9-21-16)13-10-14(19-2)12-15(11-13)20-3/h5,7,9-12,17-18H,4,6,8H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 305.44 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105168382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).