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

C15H18ClNOS — CID 62669704

IUPAC1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(Oc1ccc(C)cc1Cl)c1cccs1
InChIInChI=1S/C15H18ClNOS/c1-3-12(17)15(14-5-4-8-19-14)18-13-7-6-10(2)9-11(13)16/h4-9,12,15H,3,17H2,1-2H3
InChIKeyMJCAFIBOLGBLTD-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.57
Rot. Bonds5

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

1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine (PubChem CID 62669704) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
PubChem CID62669704
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(Oc1ccc(C)cc1Cl)c1cccs1
InChIInChI=1S/C15H18ClNOS/c1-3-12(17)15(14-5-4-8-19-14)18-13-7-6-10(2)9-11(13)16/h4-9,12,15H,3,17H2,1-2H3
InChIKeyMJCAFIBOLGBLTD-UHFFFAOYSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine
CID 55020981
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
CID 62670759
1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine
CID 107655935
1-(4-bromo-2-propan-2-ylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 115401622
1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 63459961
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
2-(2-chloro-4-methylphenoxy)pentan-3-amine
CID 62671098
1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine
CID 63457964
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460298
1-(4-bromo-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 83134104
1-(4-chloro-2-methylphenoxy)-1-thiophen-2-ylpropan-2-amine
CID 55021040

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine (CID 62669704) is 1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine is CCC(N)C(Oc1ccc(C)cc1Cl)c1cccs1.
What is the InChIKey of 1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine?
The InChIKey is MJCAFIBOLGBLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-3-12(17)15(14-5-4-8-19-14)18-13-7-6-10(2)9-11(13)16/h4-9,12,15H,3,17H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine?
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine has a molecular weight of 295.84 g/mol, XLogP of 4.57, 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-methylphenoxy)-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 62669704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).