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

C16H21NS — CID 3061994

IUPACN,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine
SMILESCCN(CC)C(Cc1ccccc1)c1cccs1
InChIInChI=1S/C16H21NS/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
InChIKeyJWOUEXGYPJLKNR-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.37
Rot. Bonds6

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

N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine (PubChem CID 3061994) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine
PubChem CID3061994
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC NameN,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine
SMILESCCN(CC)C(Cc1ccccc1)c1cccs1
InChIInChI=1S/C16H21NS/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
InChIKeyJWOUEXGYPJLKNR-UHFFFAOYSA-N
XLogP4.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tenocyclidine
CID 62751
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
Gacyclidine
CID 176265
1-(1-(2-Thienyl)cyclohexyl)pyrrolidine
CID 62764
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
Tifacogin
CID 961320
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
(1-Benzo[b]thiophen-2-yl-cyclohexyl)-dimethyl-amine
CID 398363

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine?
The IUPAC name of N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine (CID 3061994) is N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine?
The canonical SMILES for N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine is CCN(CC)C(Cc1ccccc1)c1cccs1.
What is the InChIKey of N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine?
The InChIKey is JWOUEXGYPJLKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/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.
What are the key properties of N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine?
N,N-diethyl-2-phenyl-1-thiophen-2-ylethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.37, 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 is sourced from PubChem (CID 3061994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).