N-(2-ethylbutyl)-3-methylsulfanylaniline

C13H21NS — CID 29289769

IUPACN-(2-ethylbutyl)-3-methylsulfanylaniline
SMILESCCC(CC)CNc1cccc(SC)c1
InChIInChI=1S/C13H21NS/c1-4-11(5-2)10-14-12-7-6-8-13(9-12)15-3/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyMBJNOHHVBPHMOA-UHFFFAOYSA-N
MW223.39 g/mol
LogP4.26
Rot. Bonds6

About N-(2-ethylbutyl)-3-methylsulfanylaniline

N-(2-ethylbutyl)-3-methylsulfanylaniline (PubChem CID 29289769) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is N-(2-ethylbutyl)-3-methylsulfanylaniline.

Molecular Properties

Compound NameN-(2-ethylbutyl)-3-methylsulfanylaniline
PubChem CID29289769
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC NameN-(2-ethylbutyl)-3-methylsulfanylaniline
SMILESCCC(CC)CNc1cccc(SC)c1
InChIInChI=1S/C13H21NS/c1-4-11(5-2)10-14-12-7-6-8-13(9-12)15-3/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyMBJNOHHVBPHMOA-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-3-(3-methylsulfanylanilino)propan-2-ol
CID 168600816
3-(3-methylsulfanylanilino)propane-1,2-diol
CID 76891537
N-butan-2-yl-3-methylsulfanylaniline
CID 43191081
N-(2-methylidenebutyl)-3-methylsulfanylaniline
CID 66047338
1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol
CID 63928358
[3-(2-ethylbutylamino)phenyl]methanol
CID 43715042
N-dodecyl-3-methylsulfanylaniline
CID 63489797
1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol
CID 55025056
N-(3-methylpentan-3-yl)-3-methylsulfanylaniline
CID 146436544
1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol
CID 60898393
N-[(2R)-2-(methylsulfanylmethyl)butyl]aniline
CID 100920930
N-(2-ethylbutyl)-3-propoxyaniline
CID 43693684

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-3-methylsulfanylaniline?
The IUPAC name of N-(2-ethylbutyl)-3-methylsulfanylaniline (CID 29289769) is N-(2-ethylbutyl)-3-methylsulfanylaniline.
What is the SMILES notation for N-(2-ethylbutyl)-3-methylsulfanylaniline?
The canonical SMILES for N-(2-ethylbutyl)-3-methylsulfanylaniline is CCC(CC)CNc1cccc(SC)c1.
What is the InChIKey of N-(2-ethylbutyl)-3-methylsulfanylaniline?
The InChIKey is MBJNOHHVBPHMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-11(5-2)10-14-12-7-6-8-13(9-12)15-3/h6-9,11,14H,4-5,10H2,1-3H3.
What are the key properties of N-(2-ethylbutyl)-3-methylsulfanylaniline?
N-(2-ethylbutyl)-3-methylsulfanylaniline has a molecular weight of 223.39 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-3-methylsulfanylaniline is sourced from PubChem (CID 29289769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).