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

C14H25NO2S — CID 105044507

IUPAC4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(OC)cs1)C(C)CCOC
InChIInChI=1S/C14H25NO2S/c1-5-7-15-14(11(2)6-8-16-3)13-9-12(17-4)10-18-13/h9-11,14-15H,5-8H2,1-4H3
InChIKeyLXXOZOFBAUYAIV-UHFFFAOYSA-N
MW271.43 g/mol
LogP3.47
Rot. Bonds9

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

4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine (PubChem CID 105044507) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine
PubChem CID105044507
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(OC)cs1)C(C)CCOC
InChIInChI=1S/C14H25NO2S/c1-5-7-15-14(11(2)6-8-16-3)13-9-12(17-4)10-18-13/h9-11,14-15H,5-8H2,1-4H3
InChIKeyLXXOZOFBAUYAIV-UHFFFAOYSA-N
XLogP3.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine
CID 105054949
[1-(4-methoxythiophen-2-yl)-2-methylpentyl]hydrazine
CID 107896030
4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol
CID 115836147
1-(4-methoxythiophen-2-yl)-N,2-dimethylbutan-1-amine
CID 105017620
1-(4-methoxythiophen-2-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 115854337
1-(4-methoxythiophen-2-yl)-N-propylpent-4-yn-1-amine
CID 115859366
1-(2,6-difluoro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 63502557
1-(4-methoxythiophen-2-yl)pentan-1-ol
CID 115783270
N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 115816052
N-[(4-bromo-2,5-difluorophenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81122126
1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 105185039
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine (CID 105044507) is 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine is CCCNC(c1cc(OC)cs1)C(C)CCOC.
What is the InChIKey of 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is LXXOZOFBAUYAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-5-7-15-14(11(2)6-8-16-3)13-9-12(17-4)10-18-13/h9-11,14-15H,5-8H2,1-4H3.
What are the key properties of 4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine?
4-methoxy-1-(4-methoxythiophen-2-yl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 271.43 g/mol, XLogP of 3.47, 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)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 105044507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).