1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine

C17H23NOS — CID 65104437

IUPAC1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOc1ccccc1)c1csc(C)c1
InChIInChI=1S/C17H23NOS/c1-3-10-18-17(15-12-14(2)20-13-15)9-11-19-16-7-5-4-6-8-16/h4-8,12-13,17-18H,3,9-11H2,1-2H3
InChIKeyHSAUOPLBAIWZSI-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.57
Rot. Bonds8

About 1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine

1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine (PubChem CID 65104437) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine
PubChem CID65104437
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOc1ccccc1)c1csc(C)c1
InChIInChI=1S/C17H23NOS/c1-3-10-18-17(15-12-14(2)20-13-15)9-11-19-16-7-5-4-6-8-16/h4-8,12-13,17-18H,3,9-11H2,1-2H3
InChIKeyHSAUOPLBAIWZSI-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 105155679
1-(5-methyl-3-pyridinyl)-3-phenoxy-N-propylpropan-1-amine
CID 115374230
1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine
CID 107359682
N-ethyl-3-methoxy-1-(5-methylthiophen-3-yl)propan-1-amine
CID 65104795
N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416441
1-(5-bromothiophen-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 105094339
1-(3-bromofuran-2-yl)-3-phenoxy-N-propylpropan-1-amine
CID 63943410
1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 103130748
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 78991182
N-ethyl-1-(furan-3-yl)-3-phenoxypropan-1-amine
CID 63948564
N-[2-(4-chlorophenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethyl]propan-1-amine
CID 66143413

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine (CID 65104437) is 1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine is CCCNC(CCOc1ccccc1)c1csc(C)c1.
What is the InChIKey of 1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine?
The InChIKey is HSAUOPLBAIWZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-3-10-18-17(15-12-14(2)20-13-15)9-11-19-16-7-5-4-6-8-16/h4-8,12-13,17-18H,3,9-11H2,1-2H3.
What are the key properties of 1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine?
1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine is sourced from PubChem (CID 65104437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).