3-propan-2-yloxy-5-thiophen-3-ylaniline

C13H15NOS — CID 172650308

IUPAC3-propan-2-yloxy-5-thiophen-3-ylaniline
SMILESCC(C)Oc1cc(N)cc(-c2ccsc2)c1
InChIInChI=1S/C13H15NOS/c1-9(2)15-13-6-11(5-12(14)7-13)10-3-4-16-8-10/h3-9H,14H2,1-2H3
InChIKeyUKSIZOVECNJBKM-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.78
Rot. Bonds3

About 3-propan-2-yloxy-5-thiophen-3-ylaniline

3-propan-2-yloxy-5-thiophen-3-ylaniline (PubChem CID 172650308) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-propan-2-yloxy-5-thiophen-3-ylaniline.

Molecular Properties

Compound Name3-propan-2-yloxy-5-thiophen-3-ylaniline
PubChem CID172650308
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name3-propan-2-yloxy-5-thiophen-3-ylaniline
SMILESCC(C)Oc1cc(N)cc(-c2ccsc2)c1
InChIInChI=1S/C13H15NOS/c1-9(2)15-13-6-11(5-12(14)7-13)10-3-4-16-8-10/h3-9H,14H2,1-2H3
InChIKeyUKSIZOVECNJBKM-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-ethenyl-5-propan-2-yloxyphenyl)thiophene
CID 172650424
methanamine;3-thiophen-3-ylaniline
CID 144770494
3-methyl-5-(3-propan-2-yloxyphenyl)aniline
CID 107579616
3-propan-2-yl-5-propan-2-yloxyaniline
CID 131411497
3-(2-chloro-5-fluorophenyl)-5-propan-2-yloxyaniline
CID 172654236
3-methoxy-5-thiophen-3-ylphenol
CID 53220697
3-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739717
3,5-difluoro-4-thiophen-3-ylaniline
CID 164656773
3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline
CID 80753185
1-(4-thiophen-3-ylphenyl)ethanamine
CID 65100555
3-(4-thiophen-3-ylphenyl)thiophene
CID 91665249
thiophen-3-amine
CID 640543

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-5-thiophen-3-ylaniline?
The IUPAC name of 3-propan-2-yloxy-5-thiophen-3-ylaniline (CID 172650308) is 3-propan-2-yloxy-5-thiophen-3-ylaniline.
What is the SMILES notation for 3-propan-2-yloxy-5-thiophen-3-ylaniline?
The canonical SMILES for 3-propan-2-yloxy-5-thiophen-3-ylaniline is CC(C)Oc1cc(N)cc(-c2ccsc2)c1.
What is the InChIKey of 3-propan-2-yloxy-5-thiophen-3-ylaniline?
The InChIKey is UKSIZOVECNJBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9(2)15-13-6-11(5-12(14)7-13)10-3-4-16-8-10/h3-9H,14H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-5-thiophen-3-ylaniline?
3-propan-2-yloxy-5-thiophen-3-ylaniline has a molecular weight of 233.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-5-thiophen-3-ylaniline is sourced from PubChem (CID 172650308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).