2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine

C16H21NS — CID 63774402

IUPAC2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine
SMILESCCc1ccc(C(C)(N)CCc2cccs2)cc1
InChIInChI=1S/C16H21NS/c1-3-13-6-8-14(9-7-13)16(2,17)11-10-15-5-4-12-18-15/h4-9,12H,3,10-11,17H2,1-2H3
InChIKeyDFJLCGCCYFLPRV-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.12
Rot. Bonds5

About 2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine

2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine (PubChem CID 63774402) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine
PubChem CID63774402
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine
SMILESCCc1ccc(C(C)(N)CCc2cccs2)cc1
InChIInChI=1S/C16H21NS/c1-3-13-6-8-14(9-7-13)16(2,17)11-10-15-5-4-12-18-15/h4-9,12H,3,10-11,17H2,1-2H3
InChIKeyDFJLCGCCYFLPRV-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-5-phenylpentan-2-amine
CID 63408465
2-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 55235928
3-amino-3-(4-ethylphenyl)butan-1-ol
CID 65239511
2-amino-2-(4-ethylphenyl)propan-1-ol
CID 61054820
2-(4-methylphenyl)-4-thiophen-2-ylbutan-2-ol
CID 65145168
2-(3,3-dimethylheptyl)thiophene
CID 57210788
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758
4-(2-thiophen-2-ylethyl)heptan-4-ol
CID 114865888
N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 63774462
2-[3-(chloromethyl)-3-methylhexyl]thiophene
CID 66034465
[1-(4-ethylphenyl)-4-thiophen-2-ylbutyl]hydrazine
CID 105292889
2-butylthiophene;methanamine
CID 143080300

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine (CID 63774402) is 2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine is CCc1ccc(C(C)(N)CCc2cccs2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine?
The InChIKey is DFJLCGCCYFLPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-3-13-6-8-14(9-7-13)16(2,17)11-10-15-5-4-12-18-15/h4-9,12H,3,10-11,17H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine?
2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine has a molecular weight of 259.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 63774402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).