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

C7H12ClNS — CID 17290737

IUPACN-(thiophen-2-ylmethyl)ethanamine;hydrochloride
SMILESCCNCc1cccs1.Cl
InChIInChI=1S/C7H11NS.ClH/c1-2-8-6-7-4-3-5-9-7;/h3-5,8H,2,6H2,1H3;1H
InChIKeyNBDOMUIXSIFWLO-UHFFFAOYSA-N
MW177.70 g/mol
LogP2.28
Rot. Bonds3

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

N-(thiophen-2-ylmethyl)ethanamine;hydrochloride (PubChem CID 17290737) has the molecular formula C7H12ClNS and a molecular weight of 177.70 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)ethanamine;hydrochloride
PubChem CID17290737
Molecular FormulaC7H12ClNS
Molecular Weight177.70 g/mol
Exact Mass177.04
IUPAC NameN-(thiophen-2-ylmethyl)ethanamine;hydrochloride
SMILESCCNCc1cccs1.Cl
InChIInChI=1S/C7H11NS.ClH/c1-2-8-6-7-4-3-5-9-7;/h3-5,8H,2,6H2,1H3;1H
InChIKeyNBDOMUIXSIFWLO-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.70
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of N-(thiophen-2-ylmethyl)ethanamine;hydrochloride (CID 17290737) is N-(thiophen-2-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for N-(thiophen-2-ylmethyl)ethanamine;hydrochloride is CCNCc1cccs1.Cl.
What is the InChIKey of N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
The InChIKey is NBDOMUIXSIFWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS.ClH/c1-2-8-6-7-4-3-5-9-7;/h3-5,8H,2,6H2,1H3;1H.
What are the key properties of N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
N-(thiophen-2-ylmethyl)ethanamine;hydrochloride has a molecular weight of 177.70 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 17290737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).