2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol

C14H21NOS — CID 117382283

IUPAC2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol
SMILESCSc1ccc(C)c(O)c1C1(N)CCCCC1
InChIInChI=1S/C14H21NOS/c1-10-6-7-11(17-2)12(13(10)16)14(15)8-4-3-5-9-14/h6-7,16H,3-5,8-9,15H2,1-2H3
InChIKeyIGLGYLUAXQSBHG-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.54
Rot. Bonds2

About 2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol

2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol (PubChem CID 117382283) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol
PubChem CID117382283
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol
SMILESCSc1ccc(C)c(O)c1C1(N)CCCCC1
InChIInChI=1S/C14H21NOS/c1-10-6-7-11(17-2)12(13(10)16)14(15)8-4-3-5-9-14/h6-7,16H,3-5,8-9,15H2,1-2H3
InChIKeyIGLGYLUAXQSBHG-UHFFFAOYSA-N
XLogP3.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol
CID 117347815
1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine
CID 117382290
6-methyl-2-(2-methylpyrrolidin-2-yl)-3-methylsulfanylphenol
CID 117347875
2-(1-aminocyclopentyl)-6-chloro-3-methylphenol
CID 84790709
1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine
CID 117324173
1-(2-methoxy-6-methylsulfanylphenyl)cyclohexan-1-amine
CID 117382282
2-(1-aminocyclopentyl)-3,5,6-trimethylphenol
CID 117112800
5-(1-aminocyclopentyl)-2-methyl-4-methylsulfanylphenol
CID 117347766
1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117356604
1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine
CID 84779827
1-(2-bromo-6-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117461280
5-(1-aminocyclobutyl)-2-methyl-4-methylsulfanylphenol
CID 117320752

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol?
The IUPAC name of 2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol (CID 117382283) is 2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol.
What is the SMILES notation for 2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol?
The canonical SMILES for 2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol is CSc1ccc(C)c(O)c1C1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol?
The InChIKey is IGLGYLUAXQSBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10-6-7-11(17-2)12(13(10)16)14(15)8-4-3-5-9-14/h6-7,16H,3-5,8-9,15H2,1-2H3.
What are the key properties of 2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol?
2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol has a molecular weight of 251.39 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol is sourced from PubChem (CID 117382283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).