1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine

C14H17NS — CID 79992050

IUPAC1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine
SMILESCCC(N)(c1ccccc1)c1sccc1C
InChIInChI=1S/C14H17NS/c1-3-14(15,12-7-5-4-6-8-12)13-11(2)9-10-16-13/h4-10H,3,15H2,1-2H3
InChIKeyPZKXPHXFGGBVFE-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.67
Rot. Bonds3

About 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine

1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine (PubChem CID 79992050) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine
PubChem CID79992050
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine
SMILESCCC(N)(c1ccccc1)c1sccc1C
InChIInChI=1S/C14H17NS/c1-3-14(15,12-7-5-4-6-8-12)13-11(2)9-10-16-13/h4-10H,3,15H2,1-2H3
InChIKeyPZKXPHXFGGBVFE-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine (CID 79992050) is 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine is CCC(N)(c1ccccc1)c1sccc1C.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine?
The InChIKey is PZKXPHXFGGBVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-3-14(15,12-7-5-4-6-8-12)13-11(2)9-10-16-13/h4-10H,3,15H2,1-2H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine?
1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine has a molecular weight of 231.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 79992050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).