N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine

C15H23NOS — CID 63649255

IUPACN-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine
SMILESCSc1ccccc1OCCNC1CCCCC1
InChIInChI=1S/C15H23NOS/c1-18-15-10-6-5-9-14(15)17-12-11-16-13-7-3-2-4-8-13/h5-6,9-10,13,16H,2-4,7-8,11-12H2,1H3
InChIKeyPRJMORSDUFOXHW-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.71
Rot. Bonds6

About N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine

N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine (PubChem CID 63649255) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine
PubChem CID63649255
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine
SMILESCSc1ccccc1OCCNC1CCCCC1
InChIInChI=1S/C15H23NOS/c1-18-15-10-6-5-9-14(15)17-12-11-16-13-7-3-2-4-8-13/h5-6,9-10,13,16H,2-4,7-8,11-12H2,1H3
InChIKeyPRJMORSDUFOXHW-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone
CID 104752083
N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine
CID 63506870
N-[2-(2-ethoxyphenoxy)ethyl]cyclopropanamine;hydrochloride
CID 117068187
N-[2-(2-ethylphenoxy)ethyl]cyclopropanamine
CID 43364345
N-[4-(2-methylsulfanylphenoxy)pentyl]cyclopropanamine
CID 63649238
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
CID 62570847
N-[4-(2-methylphenoxy)butyl]cyclopentanamine
CID 82097612
2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine
CID 63649567
1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine
CID 23339554

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine (CID 63649255) is N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine is CSc1ccccc1OCCNC1CCCCC1.
What is the InChIKey of N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine?
The InChIKey is PRJMORSDUFOXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-18-15-10-6-5-9-14(15)17-12-11-16-13-7-3-2-4-8-13/h5-6,9-10,13,16H,2-4,7-8,11-12H2,1H3.
What are the key properties of N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine?
N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine has a molecular weight of 265.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine is sourced from PubChem (CID 63649255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).