4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine

C13H23NO2S — CID 105054949

IUPAC4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1cc(OC)cs1
InChIInChI=1S/C13H23NO2S/c1-4-7-14-12(6-5-8-15-2)13-9-11(16-3)10-17-13/h9-10,12,14H,4-8H2,1-3H3
InChIKeyDMEVQBUOGHUKLW-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.22
Rot. Bonds9

About 4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine

4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine (PubChem CID 105054949) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine
PubChem CID105054949
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1cc(OC)cs1
InChIInChI=1S/C13H23NO2S/c1-4-7-14-12(6-5-8-15-2)13-9-11(16-3)10-17-13/h9-10,12,14H,4-8H2,1-3H3
InChIKeyDMEVQBUOGHUKLW-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromothiophen-2-yl)-4-methoxy-N-propylbutan-1-amine
CID 115633537
1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
CID 115859366
N-ethyl-1-(4-methoxythiophen-2-yl)nonan-1-amine
CID 115835766
4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 105044507
1-(4-methoxythiophen-2-yl)-N-methylpentan-1-amine
CID 115833083
N-[2-(2,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81122534
1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 115854337
N-[2-(5-bromothiophen-2-yl)-1-(4-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 115841074
N-[1-(4-methoxythiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 81123059
4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79989421
N-ethyl-1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-amine
CID 115848647
4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 105190197

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine (CID 105054949) is 4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine is CCCNC(CCCOC)c1cc(OC)cs1.
What is the InChIKey of 4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine?
The InChIKey is DMEVQBUOGHUKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-4-7-14-12(6-5-8-15-2)13-9-11(16-3)10-17-13/h9-10,12,14H,4-8H2,1-3H3.
What are the key properties of 4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine?
4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine has a molecular weight of 257.40 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 105054949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).