1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine

C14H21NO2S — CID 117422276

IUPAC1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
SMILESCOc1ccc(C2(N)CCCC2)c(SC)c1OC
InChIInChI=1S/C14H21NO2S/c1-16-11-7-6-10(13(18-3)12(11)17-2)14(15)8-4-5-9-14/h6-7H,4-5,8-9,15H2,1-3H3
InChIKeyPNMVAYRQKYVBML-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.15
Rot. Bonds4

About 1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine

1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine (PubChem CID 117422276) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
PubChem CID117422276
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
SMILESCOc1ccc(C2(N)CCCC2)c(SC)c1OC
InChIInChI=1S/C14H21NO2S/c1-16-11-7-6-10(13(18-3)12(11)17-2)14(15)8-4-5-9-14/h6-7H,4-5,8-9,15H2,1-3H3
InChIKeyPNMVAYRQKYVBML-UHFFFAOYSA-N
XLogP3.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclohexan-1-amine
CID 117451883
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
6-(1-aminocyclopropyl)-2,3-dimethoxyphenol
CID 117298428
1-[2,4-dimethoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117448254
2-[1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117453838
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221
1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84809618
1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117347352

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine (CID 117422276) is 1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine is COc1ccc(C2(N)CCCC2)c(SC)c1OC.
What is the InChIKey of 1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine?
The InChIKey is PNMVAYRQKYVBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-16-11-7-6-10(13(18-3)12(11)17-2)14(15)8-4-5-9-14/h6-7H,4-5,8-9,15H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine?
1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxy-2-methylsulfanylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117422276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).