4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline

C16H22N2S — CID 82542602

IUPAC4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline
SMILESCC(CCN)c1ccc(-c2ccc(N(C)C)cc2)s1
InChIInChI=1S/C16H22N2S/c1-12(10-11-17)15-8-9-16(19-15)13-4-6-14(7-5-13)18(2)3/h4-9,12H,10-11,17H2,1-3H3
InChIKeyWFCRJYBBUFZJEB-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.93
Rot. Bonds5

About 4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline

4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline (PubChem CID 82542602) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline
PubChem CID82542602
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline
SMILESCC(CCN)c1ccc(-c2ccc(N(C)C)cc2)s1
InChIInChI=1S/C16H22N2S/c1-12(10-11-17)15-8-9-16(19-15)13-4-6-14(7-5-13)18(2)3/h4-9,12H,10-11,17H2,1-3H3
InChIKeyWFCRJYBBUFZJEB-UHFFFAOYSA-N
XLogP3.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine
CID 82542399
3-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 82542305
3-[5-(2-chlorophenyl)thiophen-2-yl]butan-1-amine
CID 82542688
5-[4-(dimethylamino)phenyl]thiophene-2-carbonitrile
CID 170871522
4-(1-aminopropan-2-yl)-N,N-dimethylaniline
CID 60965190
4-[5-(1-aminoethyl)thiophen-2-yl]phenol
CID 82542128
4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride
CID 123134602
N'-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methylethane-1,2-diamine
CID 62682189
4-[6-(4-amino-2-ethylbutyl)-3-pyridinyl]-N,N-dimethylaniline
CID 156650564
1-[5-[3-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethanamine
CID 82541591
1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine
CID 43363583
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline (CID 82542602) is 4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline is CC(CCN)c1ccc(-c2ccc(N(C)C)cc2)s1.
What is the InChIKey of 4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline?
The InChIKey is WFCRJYBBUFZJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12(10-11-17)15-8-9-16(19-15)13-4-6-14(7-5-13)18(2)3/h4-9,12H,10-11,17H2,1-3H3.
What are the key properties of 4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline?
4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline has a molecular weight of 274.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminobutan-2-yl)thiophen-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 82542602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).