[1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine

C15H23NO2S — CID 117451936

IUPAC[1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine
SMILESCOc1c(SC)ccc(C2(CN)CCCC2)c1OC
InChIInChI=1S/C15H23NO2S/c1-17-13-11(15(10-16)8-4-5-9-15)6-7-12(19-3)14(13)18-2/h6-7H,4-5,8-10,16H2,1-3H3
InChIKeyZVRIQHFPXIGMLC-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.20
Rot. Bonds5

About [1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine

[1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine (PubChem CID 117451936) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is [1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine
PubChem CID117451936
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name[1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine
SMILESCOc1c(SC)ccc(C2(CN)CCCC2)c1OC
InChIInChI=1S/C15H23NO2S/c1-17-13-11(15(10-16)8-4-5-9-15)6-7-12(19-3)14(13)18-2/h6-7H,4-5,8-10,16H2,1-3H3
InChIKeyZVRIQHFPXIGMLC-UHFFFAOYSA-N
XLogP3.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117347808
[1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117418169
[1-(4-chloro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456510
[1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine
CID 117488347
[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117476236
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117426956
1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine
CID 117386726
[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459551
6-[1-(aminomethyl)cyclohexyl]-2,3-dimethoxyphenol
CID 117417803
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
[1-(3-ethyl-2,4-dimethoxyphenyl)cyclohexyl]methanamine
CID 117444901

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine (CID 117451936) is [1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine is COc1c(SC)ccc(C2(CN)CCCC2)c1OC.
What is the InChIKey of [1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine?
The InChIKey is ZVRIQHFPXIGMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-17-13-11(15(10-16)8-4-5-9-15)6-7-12(19-3)14(13)18-2/h6-7H,4-5,8-10,16H2,1-3H3.
What are the key properties of [1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine?
[1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine has a molecular weight of 281.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117451936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).