4-(4-ethylcyclohexyl)sulfanyl-3-methoxyaniline

C15H23NOS — CID 79830615

IUPAC4-(4-ethylcyclohexyl)sulfanyl-3-methoxyaniline
SMILESCCC1CCC(Sc2ccc(N)cc2OC)CC1
InChIInChI=1S/C15H23NOS/c1-3-11-4-7-13(8-5-11)18-15-9-6-12(16)10-14(15)17-2/h6,9-11,13H,3-5,7-8,16H2,1-2H3
InChIKeyQKAYQOISGBRDPR-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.34
Rot. Bonds4

About 4-(4-ethylcyclohexyl)sulfanyl-3-methoxyaniline

4-(4-ethylcyclohexyl)sulfanyl-3-methoxyaniline (PubChem CID 79830615) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-(4-ethylcyclohexyl)sulfanyl-3-methoxyaniline.

Molecular Properties

Compound Name4-(4-ethylcyclohexyl)sulfanyl-3-methoxyaniline
PubChem CID79830615
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-(4-ethylcyclohexyl)sulfanyl-3-methoxyaniline
SMILESCCC1CCC(Sc2ccc(N)cc2OC)CC1
InChIInChI=1S/C15H23NOS/c1-3-11-4-7-13(8-5-11)18-15-9-6-12(16)10-14(15)17-2/h6,9-11,13H,3-5,7-8,16H2,1-2H3
InChIKeyQKAYQOISGBRDPR-UHFFFAOYSA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohexyl)sulfanyl-3-methoxyaniline?
The IUPAC name of 4-(4-ethylcyclohexyl)sulfanyl-3-methoxyaniline (CID 79830615) is 4-(4-ethylcyclohexyl)sulfanyl-3-methoxyaniline.
What is the SMILES notation for 4-(4-ethylcyclohexyl)sulfanyl-3-methoxyaniline?
The canonical SMILES for 4-(4-ethylcyclohexyl)sulfanyl-3-methoxyaniline is CCC1CCC(Sc2ccc(N)cc2OC)CC1.
What is the InChIKey of 4-(4-ethylcyclohexyl)sulfanyl-3-methoxyaniline?
The InChIKey is QKAYQOISGBRDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-11-4-7-13(8-5-11)18-15-9-6-12(16)10-14(15)17-2/h6,9-11,13H,3-5,7-8,16H2,1-2H3.
What are the key properties of 4-(4-ethylcyclohexyl)sulfanyl-3-methoxyaniline?
4-(4-ethylcyclohexyl)sulfanyl-3-methoxyaniline has a molecular weight of 265.42 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexyl)sulfanyl-3-methoxyaniline is sourced from PubChem (CID 79830615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).