4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline

C16H21NS — CID 10563644

IUPAC4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2sc(C)cc2C)cc1
InChIInChI=1S/C16H21NS/c1-5-17(6-2)15-9-7-14(8-10-15)16-12(3)11-13(4)18-16/h7-11H,5-6H2,1-4H3
InChIKeyYSZYVCLALUROSY-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.88
Rot. Bonds4

About 4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline

4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline (PubChem CID 10563644) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline
PubChem CID10563644
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2sc(C)cc2C)cc1
InChIInChI=1S/C16H21NS/c1-5-17(6-2)15-9-7-14(8-10-15)16-12(3)11-13(4)18-16/h7-11H,5-6H2,1-4H3
InChIKeyYSZYVCLALUROSY-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
CID 57112514
2,4,5,6-tetrakis[4-(diethylamino)phenyl]benzene-1,3-diamine
CID 174913167
4-bis[4-(diethylamino)-2-methylphenyl]arsanyl-N,N-diethyl-3-methylaniline
CID 91746010
4-bis[4-(diethylamino)phenyl]arsanyl-N,N-diethylaniline
CID 21439568
4-[4-[2-[5-[4-(diethylamino)phenyl]-2-methylthiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N,N-diethylaniline
CID 101390044
4-N,4-N-diethyl-2,6-dimethylbenzene-1,4-diamine
CID 14746073
4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
CID 86063425
5-[4-(diethylamino)phenyl]-1,2-oxazol-3-amine
CID 117334620
4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 139552946
1-N,1-N-diethyl-3-N-(4-methylphenyl)-3-N-[4-(4-methylphenyl)phenyl]benzene-1,3-diamine
CID 20761234

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline?
The IUPAC name of 4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline (CID 10563644) is 4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline.
What is the SMILES notation for 4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline?
The canonical SMILES for 4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline is CCN(CC)c1ccc(-c2sc(C)cc2C)cc1.
What is the InChIKey of 4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline?
The InChIKey is YSZYVCLALUROSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-5-17(6-2)15-9-7-14(8-10-15)16-12(3)11-13(4)18-16/h7-11H,5-6H2,1-4H3.
What are the key properties of 4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline?
4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline has a molecular weight of 259.42 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylthiophen-2-yl)-N,N-diethylaniline is sourced from PubChem (CID 10563644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).