1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine

C14H21NOS — CID 117382290

IUPAC1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine
SMILESCOc1c(C)ccc(SC)c1C1(N)CCCC1
InChIInChI=1S/C14H21NOS/c1-10-6-7-11(17-3)12(13(10)16-2)14(15)8-4-5-9-14/h6-7H,4-5,8-9,15H2,1-3H3
InChIKeyROCGSBTVDWGOOI-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.45
Rot. Bonds3

About 1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine

1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine (PubChem CID 117382290) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine
PubChem CID117382290
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine
SMILESCOc1c(C)ccc(SC)c1C1(N)CCCC1
InChIInChI=1S/C14H21NOS/c1-10-6-7-11(17-3)12(13(10)16-2)14(15)8-4-5-9-14/h6-7H,4-5,8-9,15H2,1-3H3
InChIKeyROCGSBTVDWGOOI-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117418169
2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol
CID 117382283
1-(2-methoxy-6-methylsulfanylphenyl)cyclohexan-1-amine
CID 117382282
1-(2,6-dimethoxy-3-methylphenyl)cyclopropan-1-amine
CID 84779676
1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine
CID 117324173
1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine
CID 117299512
1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine
CID 117386100
1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)cyclopentan-1-amine
CID 117432494
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine
CID 117451883
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
1-(2-bromo-3-methoxy-6-methylphenyl)cyclopentan-1-amine
CID 117457058

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine (CID 117382290) is 1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine is COc1c(C)ccc(SC)c1C1(N)CCCC1.
What is the InChIKey of 1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine?
The InChIKey is ROCGSBTVDWGOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10-6-7-11(17-3)12(13(10)16-2)14(15)8-4-5-9-14/h6-7H,4-5,8-9,15H2,1-3H3.
What are the key properties of 1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine?
1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117382290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).