N-benzyl-1-thiophen-2-ylpropan-2-amine

C14H17NS — CID 4868418

IUPACN-benzyl-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1ccccc1
InChIInChI=1S/C14H17NS/c1-12(10-14-8-5-9-16-14)15-11-13-6-3-2-4-7-13/h2-9,12,15H,10-11H2,1H3
InChIKeyPBBCYWGSIIIWGF-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.47
Rot. Bonds5

About N-benzyl-1-thiophen-2-ylpropan-2-amine

N-benzyl-1-thiophen-2-ylpropan-2-amine (PubChem CID 4868418) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-benzyl-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-benzyl-1-thiophen-2-ylpropan-2-amine
PubChem CID4868418
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC NameN-benzyl-1-thiophen-2-ylpropan-2-amine
SMILESCC(Cc1cccs1)NCc1ccccc1
InChIInChI=1S/C14H17NS/c1-12(10-14-8-5-9-16-14)15-11-13-6-3-2-4-7-13/h2-9,12,15H,10-11H2,1H3
InChIKeyPBBCYWGSIIIWGF-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-benzyl-1-thiophen-2-ylpropan-2-amine (CID 4868418) is N-benzyl-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-benzyl-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-benzyl-1-thiophen-2-ylpropan-2-amine is CC(Cc1cccs1)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-thiophen-2-ylpropan-2-amine?
The InChIKey is PBBCYWGSIIIWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-12(10-14-8-5-9-16-14)15-11-13-6-3-2-4-7-13/h2-9,12,15H,10-11H2,1H3.
What are the key properties of N-benzyl-1-thiophen-2-ylpropan-2-amine?
N-benzyl-1-thiophen-2-ylpropan-2-amine has a molecular weight of 231.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 4868418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).