5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol

C15H23NO2S — CID 103702283

IUPAC5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol
SMILESCCSC1CCC(NCc2ccc(OC)c(O)c2)C1
InChIInChI=1S/C15H23NO2S/c1-3-19-13-6-5-12(9-13)16-10-11-4-7-15(18-2)14(17)8-11/h4,7-8,12-13,16-17H,3,5-6,9-10H2,1-2H3
InChIKeyMYCBUKSMRSNLAW-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.16
Rot. Bonds6

About 5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol

5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol (PubChem CID 103702283) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol
PubChem CID103702283
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol
SMILESCCSC1CCC(NCc2ccc(OC)c(O)c2)C1
InChIInChI=1S/C15H23NO2S/c1-3-19-13-6-5-12(9-13)16-10-11-4-7-15(18-2)14(17)8-11/h4,7-8,12-13,16-17H,3,5-6,9-10H2,1-2H3
InChIKeyMYCBUKSMRSNLAW-UHFFFAOYSA-N
XLogP3.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 103702271
3-ethylsulfanyl-N-(naphthalen-2-ylmethyl)cyclopentan-1-amine
CID 103702398
N-[(3,4-difluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702377
N-[(4-ethoxyphenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702366
2-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-4-fluorophenol
CID 103948905
N-[(4-chloro-3-fluorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 113243621
3-ethylsulfanyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopentan-1-amine
CID 103702421
2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 54950208
4-bromo-2-[[(3-ethylsulfanylcyclopentyl)amino]methyl]phenol
CID 103702367
5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol
CID 82765196
5-[(2-adamantylamino)methyl]-2-methoxyphenol
CID 43221925
N-[(4-chloro-3-nitrophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103702417

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol (CID 103702283) is 5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol is CCSC1CCC(NCc2ccc(OC)c(O)c2)C1.
What is the InChIKey of 5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol?
The InChIKey is MYCBUKSMRSNLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-19-13-6-5-12(9-13)16-10-11-4-7-15(18-2)14(17)8-11/h4,7-8,12-13,16-17H,3,5-6,9-10H2,1-2H3.
What are the key properties of 5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol?
5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol has a molecular weight of 281.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 103702283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).