2-(thiophen-3-ylmethylamino)ethanol;hydrochloride

C7H12ClNOS — CID 17332315

IUPAC2-(thiophen-3-ylmethylamino)ethanol;hydrochloride
SMILESCl.OCCNCc1ccsc1
InChIInChI=1S/C7H11NOS.ClH/c9-3-2-8-5-7-1-4-10-6-7;/h1,4,6,8-9H,2-3,5H2;1H
InChIKeyVODXQHJXAMPAKD-UHFFFAOYSA-N
MW193.70 g/mol
LogP1.25
Rot. Bonds4

About 2-(thiophen-3-ylmethylamino)ethanol;hydrochloride

2-(thiophen-3-ylmethylamino)ethanol;hydrochloride (PubChem CID 17332315) has the molecular formula C7H12ClNOS and a molecular weight of 193.70 g/mol. Its IUPAC name is 2-(thiophen-3-ylmethylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(thiophen-3-ylmethylamino)ethanol;hydrochloride
PubChem CID17332315
Molecular FormulaC7H12ClNOS
Molecular Weight193.70 g/mol
Exact Mass193.03
IUPAC Name2-(thiophen-3-ylmethylamino)ethanol;hydrochloride
SMILESCl.OCCNCc1ccsc1
InChIInChI=1S/C7H11NOS.ClH/c9-3-2-8-5-7-1-4-10-6-7;/h1,4,6,8-9H,2-3,5H2;1H
InChIKeyVODXQHJXAMPAKD-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.70
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-{[(thiophen-3-yl)methyl]amino}propan-1-ol
CID 4723833
(2-Methoxyethyl)(3-thienylmethyl)amine hydrochloride
CID 17332357
2-(Thiophen-3-ylmethylamino)ethanol
CID 4723832
N-(thiophen-3-ylmethyl)prop-2-en-1-amine
CID 4723852
N-(thiophen-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733754
1,1,1-Trifluoro-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 61529878
N-(thiophen-3-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 65804287
2-(2,2-difluoroethoxy)-N-(thiophen-3-ylmethyl)ethanamine
CID 103081075
1,1-Difluoro-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 103731415
2,2-Difluoro-3-(thiophen-3-ylmethylamino)propan-1-ol
CID 104857740
2-methoxy-N-(thiophen-3-ylmethyl)ethanamine
CID 4723871
1-{[(Thiophen-3-yl)methyl]amino}propan-2-ol
CID 4723843

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-3-ylmethylamino)ethanol;hydrochloride?
The IUPAC name of 2-(thiophen-3-ylmethylamino)ethanol;hydrochloride (CID 17332315) is 2-(thiophen-3-ylmethylamino)ethanol;hydrochloride.
What is the SMILES notation for 2-(thiophen-3-ylmethylamino)ethanol;hydrochloride?
The canonical SMILES for 2-(thiophen-3-ylmethylamino)ethanol;hydrochloride is Cl.OCCNCc1ccsc1.
What is the InChIKey of 2-(thiophen-3-ylmethylamino)ethanol;hydrochloride?
The InChIKey is VODXQHJXAMPAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS.ClH/c9-3-2-8-5-7-1-4-10-6-7;/h1,4,6,8-9H,2-3,5H2;1H.
What are the key properties of 2-(thiophen-3-ylmethylamino)ethanol;hydrochloride?
2-(thiophen-3-ylmethylamino)ethanol;hydrochloride has a molecular weight of 193.70 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-3-ylmethylamino)ethanol;hydrochloride is sourced from PubChem (CID 17332315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).