1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine

C15H17Cl2NOS — CID 63457801

IUPAC1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(Oc1cc(Cl)ccc1Cl)c1sccc1C
InChIInChI=1S/C15H17Cl2NOS/c1-3-12(18)14(15-9(2)6-7-20-15)19-13-8-10(16)4-5-11(13)17/h4-8,12,14H,3,18H2,1-2H3
InChIKeyXWHZTDXIWUZZDM-UHFFFAOYSA-N
MW330.28 g/mol
LogP5.22
Rot. Bonds5

About 1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine

1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine (PubChem CID 63457801) has the molecular formula C15H17Cl2NOS and a molecular weight of 330.28 g/mol. Its IUPAC name is 1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
PubChem CID63457801
Molecular FormulaC15H17Cl2NOS
Molecular Weight330.28 g/mol
Exact Mass329.04
IUPAC Name1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(Oc1cc(Cl)ccc1Cl)c1sccc1C
InChIInChI=1S/C15H17Cl2NOS/c1-3-12(18)14(15-9(2)6-7-20-15)19-13-8-10(16)4-5-11(13)17/h4-8,12,14H,3,18H2,1-2H3
InChIKeyXWHZTDXIWUZZDM-UHFFFAOYSA-N
XLogP5.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.28
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 82716704
1-(4-chloro-3,5-dimethylphenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 63460480
2-[2-[2-amino-1-(3-methylthiophen-2-yl)butoxy]phenyl]ethanol
CID 107712111
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 102721766
1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine
CID 55232648
1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 66322795
1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine
CID 63557622
1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine
CID 112587258
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460298
3-(2,5-dichlorophenoxy)pentanethioamide
CID 43175286
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 62669704
1-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021117

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine (CID 63457801) is 1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine is CCC(N)C(Oc1cc(Cl)ccc1Cl)c1sccc1C.
What is the InChIKey of 1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine?
The InChIKey is XWHZTDXIWUZZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NOS/c1-3-12(18)14(15-9(2)6-7-20-15)19-13-8-10(16)4-5-11(13)17/h4-8,12,14H,3,18H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine?
1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine has a molecular weight of 330.28 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine is sourced from PubChem (CID 63457801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).