2-ethoxy-4-propylsulfanylaniline

C11H17NOS — CID 63677395

IUPAC2-ethoxy-4-propylsulfanylaniline
SMILESCCCSc1ccc(N)c(OCC)c1
InChIInChI=1S/C11H17NOS/c1-3-7-14-9-5-6-10(12)11(8-9)13-4-2/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyBBMHUCMBMUVIKY-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.17
Rot. Bonds5

About 2-ethoxy-4-propylsulfanylaniline

2-ethoxy-4-propylsulfanylaniline (PubChem CID 63677395) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-ethoxy-4-propylsulfanylaniline.

Molecular Properties

Compound Name2-ethoxy-4-propylsulfanylaniline
PubChem CID63677395
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-ethoxy-4-propylsulfanylaniline
SMILESCCCSc1ccc(N)c(OCC)c1
InChIInChI=1S/C11H17NOS/c1-3-7-14-9-5-6-10(12)11(8-9)13-4-2/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyBBMHUCMBMUVIKY-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.17
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

2-(4-amino-3-ethoxyphenyl)sulfanylethanol
CID 63676764
3-(4-amino-3-ethoxyphenyl)sulfanylpropan-1-ol
CID 66114932
4-propylsulfanylbenzene-1,2-diamine
CID 3017084
2-ethoxy-4-propan-2-ylsulfanylaniline
CID 63678030
2-methoxy-5-propylsulfanylaniline
CID 97035009
2-chloro-4-propylsulfanylaniline
CID 79150326
2-ethoxy-4-naphthalen-2-ylsulfanylaniline
CID 63676558
2-ethoxy-4-propoxyaniline
CID 63677806
4-cyclopentylsulfanyl-2-ethoxyaniline
CID 63677184
4-(3-chlorophenyl)sulfanyl-2-ethoxyaniline
CID 63677822
2-ethoxy-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylaniline
CID 65039120
2-ethoxy-4-(2-methylphenyl)sulfanylaniline
CID 63677616

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-propylsulfanylaniline?
The IUPAC name of 2-ethoxy-4-propylsulfanylaniline (CID 63677395) is 2-ethoxy-4-propylsulfanylaniline.
What is the SMILES notation for 2-ethoxy-4-propylsulfanylaniline?
The canonical SMILES for 2-ethoxy-4-propylsulfanylaniline is CCCSc1ccc(N)c(OCC)c1.
What is the InChIKey of 2-ethoxy-4-propylsulfanylaniline?
The InChIKey is BBMHUCMBMUVIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-3-7-14-9-5-6-10(12)11(8-9)13-4-2/h5-6,8H,3-4,7,12H2,1-2H3.
What are the key properties of 2-ethoxy-4-propylsulfanylaniline?
2-ethoxy-4-propylsulfanylaniline has a molecular weight of 211.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-propylsulfanylaniline is sourced from PubChem (CID 63677395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).