1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine

C15H18ClNOS — CID 105150152

IUPAC1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine
SMILESCNC(CCc1cccs1)COc1cccc(Cl)c1
InChIInChI=1S/C15H18ClNOS/c1-17-13(7-8-15-6-3-9-19-15)11-18-14-5-2-4-12(16)10-14/h2-6,9-10,13,17H,7-8,11H2,1H3
InChIKeyLPKSVNSXGPLSCZ-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.00
Rot. Bonds7

About 1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine

1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine (PubChem CID 105150152) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine
PubChem CID105150152
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine
SMILESCNC(CCc1cccs1)COc1cccc(Cl)c1
InChIInChI=1S/C15H18ClNOS/c1-17-13(7-8-15-6-3-9-19-15)11-18-14-5-2-4-12(16)10-14/h2-6,9-10,13,17H,7-8,11H2,1H3
InChIKeyLPKSVNSXGPLSCZ-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105134206
1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine
CID 105139931
1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030418
1-(3-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165517
1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084372
4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine
CID 105150171
1-(3-chlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633223
1-(3-chlorophenoxy)-3-(furan-2-yl)-N-methylpropan-2-amine
CID 105177249
1-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 112692970
1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 105098748
1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 105088402
1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 105190357

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine (CID 105150152) is 1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine is CNC(CCc1cccs1)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is LPKSVNSXGPLSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-17-13(7-8-15-6-3-9-19-15)11-18-14-5-2-4-12(16)10-14/h2-6,9-10,13,17H,7-8,11H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine?
1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine has a molecular weight of 295.84 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 105150152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).