[2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol

C16H25NO2S — CID 111468980

IUPAC[2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol
SMILESCOc1ccc(CNC2CCCC2(C)CO)cc1SC
InChIInChI=1S/C16H25NO2S/c1-16(11-18)8-4-5-15(16)17-10-12-6-7-13(19-2)14(9-12)20-3/h6-7,9,15,17-18H,4-5,8,10-11H2,1-3H3
InChIKeySVBZOSXQGLXEGG-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.06
Rot. Bonds6

About [2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol

[2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol (PubChem CID 111468980) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is [2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol
PubChem CID111468980
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name[2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol
SMILESCOc1ccc(CNC2CCCC2(C)CO)cc1SC
InChIInChI=1S/C16H25NO2S/c1-16(11-18)8-4-5-15(16)17-10-12-6-7-13(19-2)14(9-12)20-3/h6-7,9,15,17-18H,4-5,8,10-11H2,1-3H3
InChIKeySVBZOSXQGLXEGG-UHFFFAOYSA-N
XLogP3.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol with MolForge

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Related Compounds

[2-[(2-methoxyphenyl)methylamino]-1-methylcyclopentyl]methanol
CID 111468885
[1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 111579392
4-bromo-2-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]-6-methoxyphenol
CID 111468891
3-cyclopropyl-3-[(4-methoxy-3-methylsulfanylphenyl)methylamino]propan-1-ol
CID 111457428
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79832215
[2-[(5-bromothiophen-3-yl)methylamino]-1-methylcyclopentyl]methanol
CID 111468945
N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 97006375
N-methoxy-1-(4-methoxy-3-methylsulfanylphenyl)methanamine
CID 117304519
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine
CID 115597475
[2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol
CID 111468790
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111486882
N-ethyl-2-[4-[[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]methyl]phenoxy]acetamide
CID 111468901

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol?
The IUPAC name of [2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol (CID 111468980) is [2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol.
What is the SMILES notation for [2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol?
The canonical SMILES for [2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol is COc1ccc(CNC2CCCC2(C)CO)cc1SC.
What is the InChIKey of [2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol?
The InChIKey is SVBZOSXQGLXEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-16(11-18)8-4-5-15(16)17-10-12-6-7-13(19-2)14(9-12)20-3/h6-7,9,15,17-18H,4-5,8,10-11H2,1-3H3.
What are the key properties of [2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol?
[2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol has a molecular weight of 295.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxy-3-methylsulfanylphenyl)methylamino]-1-methylcyclopentyl]methanol is sourced from PubChem (CID 111468980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).