4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline

C12H19NO2S — CID 83002282

IUPAC4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline
SMILESCOCCSc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C12H19NO2S/c1-9(2)15-12-8-10(4-5-11(12)13)16-7-6-14-3/h4-5,8-9H,6-7,13H2,1-3H3
InChIKeySIWANKXSWSRASC-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.79
Rot. Bonds6

About 4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline

4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline (PubChem CID 83002282) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline
PubChem CID83002282
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline
SMILESCOCCSc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C12H19NO2S/c1-9(2)15-12-8-10(4-5-11(12)13)16-7-6-14-3/h4-5,8-9H,6-7,13H2,1-3H3
InChIKeySIWANKXSWSRASC-UHFFFAOYSA-N
XLogP2.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-methoxyethylsulfanyl)-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-(3-methylbutylsulfanyl)-2-propan-2-yloxyaniline
CID 107748158
4-benzylsulfanyl-2-propan-2-yloxyaniline
CID 83002704
ethyl 2-(4-amino-3-propan-2-yloxyphenyl)sulfanylacetate
CID 83002497
2-(4-amino-3-methoxyphenyl)sulfanylethanol
CID 63676763
4-(methoxymethyl)-2-propan-2-yloxyaniline
CID 154827606
4-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-yloxyaniline
CID 104560013
4-cyclopentylsulfanyl-2-propan-2-yloxyaniline
CID 83001850
2-(4-amino-3-ethoxyphenyl)sulfanylethanol
CID 63676764
4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline
CID 83002780
4-ethyl-2-propan-2-yloxyaniline
CID 91557957
3-methoxy-4-(2-methoxyethylsulfanyl)aniline
CID 79822502
2-ethoxy-4-propylsulfanylaniline
CID 63677395

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline?
The IUPAC name of 4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline (CID 83002282) is 4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline is COCCSc1ccc(N)c(OC(C)C)c1.
What is the InChIKey of 4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline?
The InChIKey is SIWANKXSWSRASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9(2)15-12-8-10(4-5-11(12)13)16-7-6-14-3/h4-5,8-9H,6-7,13H2,1-3H3.
What are the key properties of 4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline?
4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline has a molecular weight of 241.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfanyl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 83002282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).