5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol

C14H20FNOS — CID 104582755

IUPAC5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol
SMILESCSC1CCC(NC(C)c2ccc(F)cc2O)C1
InChIInChI=1S/C14H20FNOS/c1-9(13-6-3-10(15)7-14(13)17)16-11-4-5-12(8-11)18-2/h3,6-7,9,11-12,16-17H,4-5,8H2,1-2H3
InChIKeyVZXWLUPHWUHEAU-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.47
Rot. Bonds4

About 5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol

5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol (PubChem CID 104582755) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol
PubChem CID104582755
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol
SMILESCSC1CCC(NC(C)c2ccc(F)cc2O)C1
InChIInChI=1S/C14H20FNOS/c1-9(13-6-3-10(15)7-14(13)17)16-11-4-5-12(8-11)18-2/h3,6-7,9,11-12,16-17H,4-5,8H2,1-2H3
InChIKeyVZXWLUPHWUHEAU-UHFFFAOYSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103786780
2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzene-1,4-diol
CID 114122802
5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol
CID 55145915
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 102612848
5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 63066713
2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050879
N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113262284
2-[1-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl]-5-fluorophenol
CID 63068697
N-[1-(4-chlorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113245740
2-[1-[(1-butylpiperidin-4-yl)amino]ethyl]-5-fluorophenol
CID 63066951
3-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069457

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol (CID 104582755) is 5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol is CSC1CCC(NC(C)c2ccc(F)cc2O)C1.
What is the InChIKey of 5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol?
The InChIKey is VZXWLUPHWUHEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-9(13-6-3-10(15)7-14(13)17)16-11-4-5-12(8-11)18-2/h3,6-7,9,11-12,16-17H,4-5,8H2,1-2H3.
What are the key properties of 5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol?
5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol has a molecular weight of 269.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenol is sourced from PubChem (CID 104582755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).