1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine

C12H16FNS — CID 117324173

IUPAC1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine
SMILESCSc1cccc(F)c1C1(N)CCCC1
InChIInChI=1S/C12H16FNS/c1-15-10-6-4-5-9(13)11(10)12(14)7-2-3-8-12/h4-6H,2-3,7-8,14H2,1H3
InChIKeyAJUBJMDAPFFMOE-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.28
Rot. Bonds2

About 1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine

1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine (PubChem CID 117324173) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine
PubChem CID117324173
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine
SMILESCSc1cccc(F)c1C1(N)CCCC1
InChIInChI=1S/C12H16FNS/c1-15-10-6-4-5-9(13)11(10)12(14)7-2-3-8-12/h4-6H,2-3,7-8,14H2,1H3
InChIKeyAJUBJMDAPFFMOE-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine 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-(2-methoxy-6-methylsulfanylphenyl)cyclohexan-1-amine
CID 117382282
1-(2-methoxy-6-methylsulfanylphenyl)cyclopropan-1-amine
CID 117299512
2-(1-aminocyclohexyl)-6-methyl-3-methylsulfanylphenol
CID 117382283
1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentan-1-amine
CID 117382290
1-(2-fluoro-6-methylsulfanylphenyl)cyclopropane-1-carboxylic acid
CID 117325508
2-(1-aminocyclopentyl)-3,6-difluoro-N,N-dimethylaniline
CID 117112819
1-(3-bromo-6-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84809682
1-(2,6-difluorophenyl)-3-propan-2-ylcyclohexan-1-amine
CID 107450086
1-(2-bromo-6-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117461280
1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine
CID 84779827
1-(3-fluoro-2-methylsulfanylphenyl)cyclopropan-1-amine
CID 117287337
1-(2,6-difluoro-3-methoxyphenyl)cyclohexan-1-amine
CID 84800959

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine (CID 117324173) is 1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine is CSc1cccc(F)c1C1(N)CCCC1.
What is the InChIKey of 1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine?
The InChIKey is AJUBJMDAPFFMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c1-15-10-6-4-5-9(13)11(10)12(14)7-2-3-8-12/h4-6H,2-3,7-8,14H2,1H3.
What are the key properties of 1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine?
1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117324173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).