N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine

C16H25NO2S — CID 103786580

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCOc1ccc(OC)c(C(C)NC2CCCC2SC)c1
InChIInChI=1S/C16H25NO2S/c1-11(17-14-6-5-7-16(14)20-4)13-10-12(18-2)8-9-15(13)19-3/h8-11,14,16-17H,5-7H2,1-4H3
InChIKeyGNRNEHJUTUMCPL-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.64
Rot. Bonds6

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine (PubChem CID 103786580) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
PubChem CID103786580
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
SMILESCOc1ccc(OC)c(C(C)NC2CCCC2SC)c1
InChIInChI=1S/C16H25NO2S/c1-11(17-14-6-5-7-16(14)20-4)13-10-12(18-2)8-9-15(13)19-3/h8-11,14,16-17H,5-7H2,1-4H3
InChIKeyGNRNEHJUTUMCPL-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786676
N-[1-(3-methoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113250286
1-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459133
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-propylcyclopropan-1-amine
CID 103902739
1-cyclopentyl-N-[1-(2,5-dimethoxyphenyl)ethyl]ethanamine
CID 62632992
N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786632
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 119164773
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
N-[1-(4-methylphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786716
2-[cyclohexyl-(2,5-dimethoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 70442578
N-[1-(2-methoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63278312
2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine
CID 103882855

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine (CID 103786580) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine is COc1ccc(OC)c(C(C)NC2CCCC2SC)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is GNRNEHJUTUMCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-11(17-14-6-5-7-16(14)20-4)13-10-12(18-2)8-9-15(13)19-3/h8-11,14,16-17H,5-7H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103786580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).