2-(4-butan-2-ylphenoxy)-2-(5-chlorothiophen-2-yl)ethanamine

C16H20ClNOS — CID 107663951

IUPAC2-(4-butan-2-ylphenoxy)-2-(5-chlorothiophen-2-yl)ethanamine
SMILESCCC(C)c1ccc(OC(CN)c2ccc(Cl)s2)cc1
InChIInChI=1S/C16H20ClNOS/c1-3-11(2)12-4-6-13(7-5-12)19-14(10-18)15-8-9-16(17)20-15/h4-9,11,14H,3,10,18H2,1-2H3
InChIKeyAFKYOQREAKAIRG-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.99
Rot. Bonds6

About 2-(4-butan-2-ylphenoxy)-2-(5-chlorothiophen-2-yl)ethanamine

2-(4-butan-2-ylphenoxy)-2-(5-chlorothiophen-2-yl)ethanamine (PubChem CID 107663951) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-2-(5-chlorothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-2-(5-chlorothiophen-2-yl)ethanamine
PubChem CID107663951
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC Name2-(4-butan-2-ylphenoxy)-2-(5-chlorothiophen-2-yl)ethanamine
SMILESCCC(C)c1ccc(OC(CN)c2ccc(Cl)s2)cc1
InChIInChI=1S/C16H20ClNOS/c1-3-11(2)12-4-6-13(7-5-12)19-14(10-18)15-8-9-16(17)20-15/h4-9,11,14H,3,10,18H2,1-2H3
InChIKeyAFKYOQREAKAIRG-UHFFFAOYSA-N
XLogP4.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-2-(3-ethoxyphenoxy)ethanamine
CID 62338444
2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine
CID 103486985
N-[(4-butan-2-ylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 63507930
2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine
CID 107663903
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 43114556
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43674153
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 43114585
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-2-(5-chlorothiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-2-(5-chlorothiophen-2-yl)ethanamine (CID 107663951) is 2-(4-butan-2-ylphenoxy)-2-(5-chlorothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-2-(5-chlorothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-2-(5-chlorothiophen-2-yl)ethanamine is CCC(C)c1ccc(OC(CN)c2ccc(Cl)s2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-2-(5-chlorothiophen-2-yl)ethanamine?
The InChIKey is AFKYOQREAKAIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-3-11(2)12-4-6-13(7-5-12)19-14(10-18)15-8-9-16(17)20-15/h4-9,11,14H,3,10,18H2,1-2H3.
What are the key properties of 2-(4-butan-2-ylphenoxy)-2-(5-chlorothiophen-2-yl)ethanamine?
2-(4-butan-2-ylphenoxy)-2-(5-chlorothiophen-2-yl)ethanamine has a molecular weight of 309.86 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-2-(5-chlorothiophen-2-yl)ethanamine is sourced from PubChem (CID 107663951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).