1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine

C14H15ClFNOS — CID 55020981

IUPAC1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(Oc1ccc(F)cc1Cl)c1cccs1
InChIInChI=1S/C14H15ClFNOS/c1-2-11(17)14(13-4-3-7-19-13)18-12-6-5-9(16)8-10(12)15/h3-8,11,14H,2,17H2,1H3
InChIKeyZVZQOOGECWSTFN-UHFFFAOYSA-N
MW299.80 g/mol
LogP4.40
Rot. Bonds5

About 1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine

1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine (PubChem CID 55020981) has the molecular formula C14H15ClFNOS and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine
PubChem CID55020981
Molecular FormulaC14H15ClFNOS
Molecular Weight299.80 g/mol
Exact Mass299.05
IUPAC Name1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(Oc1ccc(F)cc1Cl)c1cccs1
InChIInChI=1S/C14H15ClFNOS/c1-2-11(17)14(13-4-3-7-19-13)18-12-6-5-9(16)8-10(12)15/h3-8,11,14H,2,17H2,1H3
InChIKeyZVZQOOGECWSTFN-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 62669704
1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine
CID 107655935
1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63461040
1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 115401622
1-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021117
1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
CID 62669549
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
CID 62670759
1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine
CID 63268698
1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
CID 65124390
1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 83134104
2-(2-chloro-4-fluorophenyl)pentan-3-amine
CID 79308367
3-(2-amino-1-thiophen-2-ylbutoxy)-5-methoxybenzonitrile
CID 103566510

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine (CID 55020981) is 1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine is CCC(N)C(Oc1ccc(F)cc1Cl)c1cccs1.
What is the InChIKey of 1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine?
The InChIKey is ZVZQOOGECWSTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNOS/c1-2-11(17)14(13-4-3-7-19-13)18-12-6-5-9(16)8-10(12)15/h3-8,11,14H,2,17H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine?
1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine has a molecular weight of 299.80 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 55020981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).