1-phenyl-1-thiophen-3-ylpropan-1-amine

C13H15NS — CID 65100038

IUPAC1-phenyl-1-thiophen-3-ylpropan-1-amine
SMILESCCC(N)(c1ccccc1)c1ccsc1
InChIInChI=1S/C13H15NS/c1-2-13(14,12-8-9-15-10-12)11-6-4-3-5-7-11/h3-10H,2,14H2,1H3
InChIKeyMIBVTAGSLWTKFJ-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.36
Rot. Bonds3

About 1-phenyl-1-thiophen-3-ylpropan-1-amine

1-phenyl-1-thiophen-3-ylpropan-1-amine (PubChem CID 65100038) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 1-phenyl-1-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-phenyl-1-thiophen-3-ylpropan-1-amine
PubChem CID65100038
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name1-phenyl-1-thiophen-3-ylpropan-1-amine
SMILESCCC(N)(c1ccccc1)c1ccsc1
InChIInChI=1S/C13H15NS/c1-2-13(14,12-8-9-15-10-12)11-6-4-3-5-7-11/h3-10H,2,14H2,1H3
InChIKeyMIBVTAGSLWTKFJ-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
CID 63408284
3-thiophen-3-ylpentan-3-amine
CID 65099925
(2-hydroxy-2-phenyl-2-thiophen-3-ylethyl) acetate
CID 174712289
1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine
CID 112586080
3-thiophen-3-ylpentan-3-ol
CID 65099780
2,2,2-trifluoro-1-phenyl-1-thiophen-3-ylethanol
CID 10611204
2-methyl-2-thiophen-3-ylbutan-1-amine
CID 82412624
3-[methoxy(diphenyl)methyl]thiophene
CID 21049807
1-[4-(2-aminoethyl)phenyl]-1-phenylpropan-1-amine
CID 173452747
(2R)-1,1,1-trifluoro-2-thiophen-3-ylpropan-2-amine
CID 131081620
1-phenyl-2-(thiophen-3-ylmethyl)butan-2-amine
CID 79008468
1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine
CID 79992050

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-phenyl-1-thiophen-3-ylpropan-1-amine (CID 65100038) is 1-phenyl-1-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-phenyl-1-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-phenyl-1-thiophen-3-ylpropan-1-amine is CCC(N)(c1ccccc1)c1ccsc1.
What is the InChIKey of 1-phenyl-1-thiophen-3-ylpropan-1-amine?
The InChIKey is MIBVTAGSLWTKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-2-13(14,12-8-9-15-10-12)11-6-4-3-5-7-11/h3-10H,2,14H2,1H3.
What are the key properties of 1-phenyl-1-thiophen-3-ylpropan-1-amine?
1-phenyl-1-thiophen-3-ylpropan-1-amine has a molecular weight of 217.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 65100038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).