2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine

C16H21NS — CID 63082381

IUPAC2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(N)c1cccs1
InChIInChI=1S/C16H21NS/c1-3-16(4-2,13-9-6-5-7-10-13)15(17)14-11-8-12-18-14/h5-12,15H,3-4,17H2,1-2H3
InChIKeyWGRLEZKSTMQHIS-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.51
Rot. Bonds5

About 2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine

2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine (PubChem CID 63082381) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine
PubChem CID63082381
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(N)c1cccs1
InChIInChI=1S/C16H21NS/c1-3-16(4-2,13-9-6-5-7-10-13)15(17)14-11-8-12-18-14/h5-12,15H,3-4,17H2,1-2H3
InChIKeyWGRLEZKSTMQHIS-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-ethyl-2-phenylbutan-1-amine
CID 107359724
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine
CID 63417946
1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine
CID 63418123
2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine
CID 63081353
4-ethyl-4-phenyl-1-thiophen-2-ylhexan-3-ol
CID 63773505
2,2-difluoro-1-thiophen-2-ylpropan-1-amine
CID 131209587
3-ethyl-5-methyl-3-phenylheptan-4-amine
CID 79446709
1-(2,5-dimethylphenyl)-2-ethyl-2-phenylbutan-1-amine
CID 63417945
2-ethyl-2-phenyl-1-pyrazin-2-ylbutan-1-amine
CID 63968398
5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine
CID 64564957
3-ethyl-1-(5-ethylthiophen-2-yl)-3-phenylpentan-2-amine
CID 63417545

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine (CID 63082381) is 2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine is CCC(CC)(c1ccccc1)C(N)c1cccs1.
What is the InChIKey of 2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine?
The InChIKey is WGRLEZKSTMQHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-3-16(4-2,13-9-6-5-7-10-13)15(17)14-11-8-12-18-14/h5-12,15H,3-4,17H2,1-2H3.
What are the key properties of 2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine?
2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 63082381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).