N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride

C16H22ClNS — CID 3061993

IUPACN,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride
SMILESCCN(CC)C(Cc1ccccc1)c1cccs1.Cl
InChIInChI=1S/C16H21NS.ClH/c1-3-17(4-2)15(16-11-8-12-18-16)13-14-9-6-5-7-10-14;/h5-12,15H,3-4,13H2,1-2H3;1H
InChIKeyRJBIOXQZZLMURN-UHFFFAOYSA-N
MW295.88 g/mol
LogP4.80
Rot. Bonds6

About N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride

N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride (PubChem CID 3061993) has the molecular formula C16H22ClNS and a molecular weight of 295.88 g/mol. Its IUPAC name is N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride
PubChem CID3061993
Molecular FormulaC16H22ClNS
Molecular Weight295.88 g/mol
Exact Mass295.12
IUPAC NameN,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride
SMILESCCN(CC)C(Cc1ccccc1)c1cccs1.Cl
InChIInChI=1S/C16H21NS.ClH/c1-3-17(4-2)15(16-11-8-12-18-16)13-14-9-6-5-7-10-14;/h5-12,15H,3-4,13H2,1-2H3;1H
InChIKeyRJBIOXQZZLMURN-UHFFFAOYSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.88
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride?
The IUPAC name of N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride (CID 3061993) is N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride?
The canonical SMILES for N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride is CCN(CC)C(Cc1ccccc1)c1cccs1.Cl.
What is the InChIKey of N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride?
The InChIKey is RJBIOXQZZLMURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS.ClH/c1-3-17(4-2)15(16-11-8-12-18-16)13-14-9-6-5-7-10-14;/h5-12,15H,3-4,13H2,1-2H3;1H.
What are the key properties of N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride?
N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride has a molecular weight of 295.88 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine;hydrochloride is sourced from PubChem (CID 3061993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).