1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine

C15H21NOS — CID 104790467

IUPAC1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)c1ccoc1C
InChIInChI=1S/C15H21NOS/c1-3-8-16-15(14-6-9-17-12(14)2)5-4-13-7-10-18-11-13/h6-7,9-11,15-16H,3-5,8H2,1-2H3
InChIKeyPSMFRTRKARBTAS-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.32
Rot. Bonds7

About 1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine

1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 104790467) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
PubChem CID104790467
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
SMILESCCCNC(CCc1ccsc1)c1ccoc1C
InChIInChI=1S/C15H21NOS/c1-3-8-16-15(14-6-9-17-12(14)2)5-4-13-7-10-18-11-13/h6-7,9-11,15-16H,3-5,8H2,1-2H3
InChIKeyPSMFRTRKARBTAS-UHFFFAOYSA-N
XLogP4.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine
CID 104789822
N-propyl-3-thiophen-3-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115857109
1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 105147754
1-(2-methylfuran-3-yl)-N-propylhex-5-yn-1-amine
CID 104790484
N-propyl-1-(4-propylthiadiazol-5-yl)-3-thiophen-3-ylpropan-1-amine
CID 105147880
1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 81491853
N-[2-methoxy-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104790452
N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105147845
1-(3-bromo-5-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 107945833
N-propyl-1-thiophen-3-ylheptan-3-amine
CID 79411760
1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 106856969
N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079126

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine (CID 104790467) is 1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine is CCCNC(CCc1ccsc1)c1ccoc1C.
What is the InChIKey of 1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is PSMFRTRKARBTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-3-8-16-15(14-6-9-17-12(14)2)5-4-13-7-10-18-11-13/h6-7,9-11,15-16H,3-5,8H2,1-2H3.
What are the key properties of 1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine?
1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylfuran-3-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 104790467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).