4-(2-ethylhexylsulfinyl)-2-methylaniline

C15H25NOS — CID 81182649

IUPAC4-(2-ethylhexylsulfinyl)-2-methylaniline
SMILESCCCCC(CC)CS(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C15H25NOS/c1-4-6-7-13(5-2)11-18(17)14-8-9-15(16)12(3)10-14/h8-10,13H,4-7,11,16H2,1-3H3
InChIKeyYGLJMPACIFCRBM-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.90
Rot. Bonds7

About 4-(2-ethylhexylsulfinyl)-2-methylaniline

4-(2-ethylhexylsulfinyl)-2-methylaniline (PubChem CID 81182649) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-(2-ethylhexylsulfinyl)-2-methylaniline.

Molecular Properties

Compound Name4-(2-ethylhexylsulfinyl)-2-methylaniline
PubChem CID81182649
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name4-(2-ethylhexylsulfinyl)-2-methylaniline
SMILESCCCCC(CC)CS(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C15H25NOS/c1-4-6-7-13(5-2)11-18(17)14-8-9-15(16)12(3)10-14/h8-10,13H,4-7,11,16H2,1-3H3
InChIKeyYGLJMPACIFCRBM-UHFFFAOYSA-N
XLogP3.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(2-ethylhexylsulfinyl)aniline
CID 81207399
3-(2-ethylhexylsulfinyl)-2-methylaniline
CID 81190456
1-(4-amino-3-methylphenyl)-3-ethylheptan-1-one
CID 116553874
4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine
CID 107819815
2-methyl-4-pentan-3-ylsulfinylaniline
CID 81181489
3-chloro-2-(2-ethylhexylsulfinyl)aniline
CID 81185827
2-ethylhexyl 4-amino-3-methylbenzoate
CID 63446671
4-(cyclopropylmethylsulfinyl)-2-methylaniline
CID 81182244
3-(4-amino-3-methylphenyl)sulfinylpropanamide
CID 81182245
4-amino-3-methylbenzenesulfinate
CID 57056703
4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine
CID 114004564
4-(cyclobutylmethylsulfinyl)-2-methylaniline
CID 81182664

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexylsulfinyl)-2-methylaniline?
The IUPAC name of 4-(2-ethylhexylsulfinyl)-2-methylaniline (CID 81182649) is 4-(2-ethylhexylsulfinyl)-2-methylaniline.
What is the SMILES notation for 4-(2-ethylhexylsulfinyl)-2-methylaniline?
The canonical SMILES for 4-(2-ethylhexylsulfinyl)-2-methylaniline is CCCCC(CC)CS(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 4-(2-ethylhexylsulfinyl)-2-methylaniline?
The InChIKey is YGLJMPACIFCRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-6-7-13(5-2)11-18(17)14-8-9-15(16)12(3)10-14/h8-10,13H,4-7,11,16H2,1-3H3.
What are the key properties of 4-(2-ethylhexylsulfinyl)-2-methylaniline?
4-(2-ethylhexylsulfinyl)-2-methylaniline has a molecular weight of 267.44 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexylsulfinyl)-2-methylaniline is sourced from PubChem (CID 81182649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).