dimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium chloride

C15H21ClN2S — CID 23489

IUPACdimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium chloride
SMILESC[NH+](C)CCN(Cc1cccs1)c1ccccc1.[Cl-]
InChIInChI=1S/C15H20N2S.ClH/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14;/h3-9,12H,10-11,13H2,1-2H3;1H
InChIKeyFWYFIIQCOLEFQP-UHFFFAOYSA-N
MW296.87 g/mol
LogP-1.10
Rot. Bonds6

About dimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium chloride

dimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium chloride (PubChem CID 23489) has the molecular formula C15H21ClN2S and a molecular weight of 296.87 g/mol. Its IUPAC name is dimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium chloride
PubChem CID23489
Molecular FormulaC15H21ClN2S
Molecular Weight296.87 g/mol
Exact Mass296.11
IUPAC Namedimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium chloride
SMILESC[NH+](C)CCN(Cc1cccs1)c1ccccc1.[Cl-]
InChIInChI=1S/C15H20N2S.ClH/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14;/h3-9,12H,10-11,13H2,1-2H3;1H
InChIKeyFWYFIIQCOLEFQP-UHFFFAOYSA-N
XLogP-1.10
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.87
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium chloride?
The IUPAC name of dimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium chloride (CID 23489) is dimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium chloride.
What is the SMILES notation for dimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium chloride?
The canonical SMILES for dimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium chloride is C[NH+](C)CCN(Cc1cccs1)c1ccccc1.[Cl-].
What is the InChIKey of dimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium chloride?
The InChIKey is FWYFIIQCOLEFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S.ClH/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14;/h3-9,12H,10-11,13H2,1-2H3;1H.
What are the key properties of dimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium chloride?
dimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium chloride has a molecular weight of 296.87 g/mol, XLogP of -1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[N-(thiophen-2-ylmethyl)anilino]ethyl]azanium chloride is sourced from PubChem (CID 23489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).