1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine

C15H23NO2S — CID 117451883

IUPAC1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine
SMILESCOc1ccc(OC)c(C2(N)CCCCC2)c1SC
InChIInChI=1S/C15H23NO2S/c1-17-11-7-8-12(18-2)14(19-3)13(11)15(16)9-5-4-6-10-15/h7-8H,4-6,9-10,16H2,1-3H3
InChIKeyDOTYQBQPXHKTOL-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.54
Rot. Bonds4

About 1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine

1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine (PubChem CID 117451883) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine
PubChem CID117451883
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine
SMILESCOc1ccc(OC)c(C2(N)CCCCC2)c1SC
InChIInChI=1S/C15H23NO2S/c1-17-11-7-8-12(18-2)14(19-3)13(11)15(16)9-5-4-6-10-15/h7-8H,4-6,9-10,16H2,1-3H3
InChIKeyDOTYQBQPXHKTOL-UHFFFAOYSA-N
XLogP3.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine 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

1-(2-methoxy-6-methylsulfanylphenyl)cyclohexan-1-amine
CID 117382282
1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 117422276
1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine
CID 84800959
1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine
CID 117303912
2-(1-isocyanatocyclobutyl)-1,4-dimethoxy-3-methylsulfanylbenzene
CID 117448038
1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine
CID 117299512
1-(2-bromo-3-methoxy-6-methylphenyl)cyclopentan-1-amine
CID 117457058
1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine
CID 117386080
[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117426956
1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine
CID 117382290
2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol
CID 117342969
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine (CID 117451883) is 1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine is COc1ccc(OC)c(C2(N)CCCCC2)c1SC.
What is the InChIKey of 1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine?
The InChIKey is DOTYQBQPXHKTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-17-11-7-8-12(18-2)14(19-3)13(11)15(16)9-5-4-6-10-15/h7-8H,4-6,9-10,16H2,1-3H3.
What are the key properties of 1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine?
1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117451883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).