1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine

C13H18FNS — CID 63114870

IUPAC1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine
SMILESCC(N)c1cc(F)ccc1SC1CCCC1
InChIInChI=1S/C13H18FNS/c1-9(15)12-8-10(14)6-7-13(12)16-11-4-2-3-5-11/h6-9,11H,2-5,15H2,1H3
InChIKeyPEXBUSWOJUGKOY-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.88
Rot. Bonds3

About 1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine

1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine (PubChem CID 63114870) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine
PubChem CID63114870
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine
SMILESCC(N)c1cc(F)ccc1SC1CCCC1
InChIInChI=1S/C13H18FNS/c1-9(15)12-8-10(14)6-7-13(12)16-11-4-2-3-5-11/h6-9,11H,2-5,15H2,1H3
InChIKeyPEXBUSWOJUGKOY-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine 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

1-[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 62996268
(1R)-1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanol
CID 63835814
1-(2-cyclohexylsulfanyl-5-fluorophenyl)butan-2-amine
CID 63820015
N-[(2-cyclohexylsulfanyl-5-fluorophenyl)methyl]propan-2-amine
CID 63808583
4-cyclohexylsulfanyl-3-fluoroaniline
CID 43303790
1-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189308
1-[5-fluoro-2-(3-methylcyclohexyl)sulfanylphenyl]-N-methylethanamine
CID 63532460
N-[(2-cyclopentylsulfanyl-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 63813322
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-fluorophenyl]ethanamine
CID 102726753
1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine
CID 63114882
1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine
CID 60886597
(1R)-1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine
CID 63370324

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine (CID 63114870) is 1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine is CC(N)c1cc(F)ccc1SC1CCCC1.
What is the InChIKey of 1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine?
The InChIKey is PEXBUSWOJUGKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c1-9(15)12-8-10(14)6-7-13(12)16-11-4-2-3-5-11/h6-9,11H,2-5,15H2,1H3.
What are the key properties of 1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine?
1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine is sourced from PubChem (CID 63114870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).