1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine

C16H21NS — CID 43363583

IUPAC1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine
SMILESCCCCc1ccc(-c2ccc(C(C)N)s2)cc1
InChIInChI=1S/C16H21NS/c1-3-4-5-13-6-8-14(9-7-13)16-11-10-15(18-16)12(2)17/h6-12H,3-5,17H2,1-2H3
InChIKeyLIIFFIUBYJRESF-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.78
Rot. Bonds5

About 1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine

1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine (PubChem CID 43363583) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine
PubChem CID43363583
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine
SMILESCCCCc1ccc(-c2ccc(C(C)N)s2)cc1
InChIInChI=1S/C16H21NS/c1-3-4-5-13-6-8-14(9-7-13)16-11-10-15(18-16)12(2)17/h6-12H,3-5,17H2,1-2H3
InChIKeyLIIFFIUBYJRESF-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-(4-octylphenyl)thiophene
CID 59439546
2,4,6-tris[5-(4-butylphenyl)thiophen-2-yl]pyrimidine
CID 122204785
4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline
CID 59682229
1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine
CID 59682226
2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine
CID 59488717
N-[[5-(4-butylphenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287428
N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine
CID 63424967
2,5-bis[5-(4-octylphenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 59514665
(1S)-1-(4-hexylphenyl)ethanamine
CID 25324494
2-(4-hexylphenyl)-5-(4-nonylphenyl)-1,3-thiazole
CID 15332709
2-(4-methylphenyl)-5-(4-octylphenyl)thieno[3,2-b]thiophene
CID 130318443
1-(5-pyrimidin-5-ylthiophen-2-yl)ethanamine
CID 82542221

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine?
The IUPAC name of 1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine (CID 43363583) is 1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine?
The canonical SMILES for 1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine is CCCCc1ccc(-c2ccc(C(C)N)s2)cc1.
What is the InChIKey of 1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine?
The InChIKey is LIIFFIUBYJRESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-3-4-5-13-6-8-14(9-7-13)16-11-10-15(18-16)12(2)17/h6-12H,3-5,17H2,1-2H3.
What are the key properties of 1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine?
1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine is sourced from PubChem (CID 43363583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).