2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride

C13H16ClNS — CID 24746854

IUPAC2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
SMILESCl.c1ccc(CCNCc2cccs2)cc1
InChIInChI=1S/C13H15NS.ClH/c1-2-5-12(6-3-1)8-9-14-11-13-7-4-10-15-13;/h1-7,10,14H,8-9,11H2;1H
InChIKeyKSKRZSISPUDABW-UHFFFAOYSA-N
MW253.80 g/mol
LogP3.50
Rot. Bonds5

About 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride

2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride (PubChem CID 24746854) has the molecular formula C13H16ClNS and a molecular weight of 253.80 g/mol. Its IUPAC name is 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
PubChem CID24746854
Molecular FormulaC13H16ClNS
Molecular Weight253.80 g/mol
Exact Mass253.07
IUPAC Name2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
SMILESCl.c1ccc(CCNCc2cccs2)cc1
InChIInChI=1S/C13H15NS.ClH/c1-2-5-12(6-3-1)8-9-14-11-13-7-4-10-15-13;/h1-7,10,14H,8-9,11H2;1H
InChIKeyKSKRZSISPUDABW-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride (CID 24746854) is 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride is Cl.c1ccc(CCNCc2cccs2)cc1.
What is the InChIKey of 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
The InChIKey is KSKRZSISPUDABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS.ClH/c1-2-5-12(6-3-1)8-9-14-11-13-7-4-10-15-13;/h1-7,10,14H,8-9,11H2;1H.
What are the key properties of 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride has a molecular weight of 253.80 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 24746854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).