[1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine

C15H23NOS — CID 117418169

IUPAC[1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine
SMILESCOc1c(C)ccc(SC)c1C1(CN)CCCC1
InChIInChI=1S/C15H23NOS/c1-11-6-7-12(18-3)13(14(11)17-2)15(10-16)8-4-5-9-15/h6-7H,4-5,8-10,16H2,1-3H3
InChIKeyOSOPNBYBZQBBPR-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.50
Rot. Bonds4

About [1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine

[1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine (PubChem CID 117418169) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is [1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine
PubChem CID117418169
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name[1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine
SMILESCOc1c(C)ccc(SC)c1C1(CN)CCCC1
InChIInChI=1S/C15H23NOS/c1-11-6-7-12(18-3)13(14(11)17-2)15(10-16)8-4-5-9-15/h6-7H,4-5,8-10,16H2,1-3H3
InChIKeyOSOPNBYBZQBBPR-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine
CID 117382290
[1-(2-methoxy-3-methyl-6-propan-2-ylphenyl)cyclohexyl]methanamine
CID 117441153
2-[1-(aminomethyl)cyclobutyl]-6-methyl-3-methylsulfanylphenol
CID 117347815
[1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117451936
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117347808
[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
CID 117382107
[1-(2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117371901
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117428108
[1-(3-bromo-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497426

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine (CID 117418169) is [1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine is COc1c(C)ccc(SC)c1C1(CN)CCCC1.
What is the InChIKey of [1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine?
The InChIKey is OSOPNBYBZQBBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11-6-7-12(18-3)13(14(11)17-2)15(10-16)8-4-5-9-15/h6-7H,4-5,8-10,16H2,1-3H3.
What are the key properties of [1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine?
[1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine has a molecular weight of 265.42 g/mol, XLogP of 3.50, 4 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)cyclopentyl]methanamine is sourced from PubChem (CID 117418169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).