4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline

C15H16BrNOS — CID 83002780

IUPAC4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(Sc2cccc(Br)c2)ccc1N
InChIInChI=1S/C15H16BrNOS/c1-10(2)18-15-9-13(6-7-14(15)17)19-12-5-3-4-11(16)8-12/h3-10H,17H2,1-2H3
InChIKeyKWVPTLBXMTUWDU-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.97
Rot. Bonds4

About 4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline

4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline (PubChem CID 83002780) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline
PubChem CID83002780
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(Sc2cccc(Br)c2)ccc1N
InChIInChI=1S/C15H16BrNOS/c1-10(2)18-15-9-13(6-7-14(15)17)19-12-5-3-4-11(16)8-12/h3-10H,17H2,1-2H3
InChIKeyKWVPTLBXMTUWDU-UHFFFAOYSA-N
XLogP4.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-propan-2-yloxyaniline
CID 50998232
4-(3-methylbutylsulfanyl)-2-propan-2-yloxyaniline
CID 107748158
4-benzylsulfanyl-2-propan-2-yloxyaniline
CID 83002704
2-propan-2-yloxy-4-(1,3-thiazol-2-ylsulfanyl)aniline
CID 83002779
4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline
CID 83002282
2-(3-bromophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63598097
4-cyclopentylsulfanyl-2-propan-2-yloxyaniline
CID 83001850
6-(3-bromophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine
CID 63536884
3-(4-amino-3-propan-2-yloxyphenyl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 83005761
4-amino-3-propan-2-yloxyphenol
CID 69025591
4-(3-methylbutan-2-yloxy)-2-propan-2-yloxyaniline
CID 83002701
4-N-(4-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002014

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline?
The IUPAC name of 4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline (CID 83002780) is 4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline is CC(C)Oc1cc(Sc2cccc(Br)c2)ccc1N.
What is the InChIKey of 4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline?
The InChIKey is KWVPTLBXMTUWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-10(2)18-15-9-13(6-7-14(15)17)19-12-5-3-4-11(16)8-12/h3-10H,17H2,1-2H3.
What are the key properties of 4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline?
4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline has a molecular weight of 338.27 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline is sourced from PubChem (CID 83002780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).