N-ethyl-1-thiophen-3-ylpropan-2-amine;hydrochloride

C9H16ClNS — CID 75479471

IUPACN-ethyl-1-thiophen-3-ylpropan-2-amine;hydrochloride
SMILESCCNC(C)Cc1ccsc1.Cl
InChIInChI=1S/C9H15NS.ClH/c1-3-10-8(2)6-9-4-5-11-7-9;/h4-5,7-8,10H,3,6H2,1-2H3;1H
InChIKeyDBTTWDIKHJVOII-UHFFFAOYSA-N
MW205.75 g/mol
LogP2.71
Rot. Bonds4

About N-ethyl-1-thiophen-3-ylpropan-2-amine;hydrochloride

N-ethyl-1-thiophen-3-ylpropan-2-amine;hydrochloride (PubChem CID 75479471) has the molecular formula C9H16ClNS and a molecular weight of 205.75 g/mol. Its IUPAC name is N-ethyl-1-thiophen-3-ylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-1-thiophen-3-ylpropan-2-amine;hydrochloride
PubChem CID75479471
Molecular FormulaC9H16ClNS
Molecular Weight205.75 g/mol
Exact Mass205.07
IUPAC NameN-ethyl-1-thiophen-3-ylpropan-2-amine;hydrochloride
SMILESCCNC(C)Cc1ccsc1.Cl
InChIInChI=1S/C9H15NS.ClH/c1-3-10-8(2)6-9-4-5-11-7-9;/h4-5,7-8,10H,3,6H2,1-2H3;1H
InChIKeyDBTTWDIKHJVOII-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.75
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-thiophen-3-ylpropan-2-amine;hydrochloride?
The IUPAC name of N-ethyl-1-thiophen-3-ylpropan-2-amine;hydrochloride (CID 75479471) is N-ethyl-1-thiophen-3-ylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-ethyl-1-thiophen-3-ylpropan-2-amine;hydrochloride?
The canonical SMILES for N-ethyl-1-thiophen-3-ylpropan-2-amine;hydrochloride is CCNC(C)Cc1ccsc1.Cl.
What is the InChIKey of N-ethyl-1-thiophen-3-ylpropan-2-amine;hydrochloride?
The InChIKey is DBTTWDIKHJVOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS.ClH/c1-3-10-8(2)6-9-4-5-11-7-9;/h4-5,7-8,10H,3,6H2,1-2H3;1H.
What are the key properties of N-ethyl-1-thiophen-3-ylpropan-2-amine;hydrochloride?
N-ethyl-1-thiophen-3-ylpropan-2-amine;hydrochloride has a molecular weight of 205.75 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-thiophen-3-ylpropan-2-amine;hydrochloride is sourced from PubChem (CID 75479471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).